4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide

C99H79ClF4N10O12 — CID 159908510

About 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide

4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide (PubChem CID 159908510) has the molecular formula C99H79ClF4N10O12 and a molecular weight of 1712.22 g/mol. Its IUPAC name is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide
• PubChem CID: 159908510
• Molecular Formula: C99H79ClF4N10O12
• Molecular Weight: 1712.22 g/mol
• Exact Mass: 1710.55
• IUPAC Name: 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide
• SMILES: Cc1c(-c2c(C#N)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O.Cc1c(-c2c(F)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1
• InChI: InChI=1S/C33H25ClN4O4.2C33H27F2N3O4/c1-17-21(6-4-8-26(17)38-28(39)15-27-25(34)7-5-11-37(27)32(38)41)29-19(16-35)14-24(31(36)40)23-13-18-12-20(33(2,3)42)9-10-22(18)30(23)29;1-16-19(7-6-10-26(16)38-31(40)21-8-5-9-24(34)29(21)37(4)32(38)41)28-25(35)15-23(30(36)39)22-14-17-13-18(33(2,3)42)11-12-20(17)27(22)28;1-15-10-23-29(25(35)11-15)37-32(41)38(31(23)40)26-7-5-6-19(16(26)2)28-24(34)14-22(30(36)39)21-13-17-12-18(33(3,4)42)8-9-20(17)27(21)28/h4-12,14-15,42H,13H2,1-3H3,(H2,36,40);5-13,15,42H,14H2,1-4H3,(H2,36,39);5-12,14,42H,13H2,1-4H3,(H2,36,39)(H,37,41)
• InChIKey: NWWNHLYKTCUEFY-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 356.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.22
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide (CID 159908510) is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide.

What is the SMILES notation for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The canonical SMILES for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide is Cc1c(-c2c(C#N)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O.Cc1c(-c2c(F)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.

What is the InChIKey of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The InChIKey is NWWNHLYKTCUEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25ClN4O4.2C33H27F2N3O4/c1-17-21(6-4-8-26(17)38-28(39)15-27-25(34)7-5-11-37(27)32(38)41)29-19(16-35)14-24(31(36)40)23-13-18-12-20(33(2,3)42)9-10-22(18)30(23)29;1-16-19(7-6-10-26(16)38-31(40)21-8-5-9-24(34)29(21)37(4)32(38)41)28-25(35)15-23(30(36)39)22-14-17-13-18(33(2,3)42)11-12-20(17)27(22)28;1-15-10-23-29(25(35)11-15)37-32(41)38(31(23)40)26-7-5-6-19(16(26)2)28-24(34)14-22(30(36)39)21-13-17-12-18(33(3,4)42)8-9-20(17)27(21)28/h4-12,14-15,42H,13H2,1-3H3,(H2,36,40);5-13,15,42H,14H2,1-4H3,(H2,36,39);5-12,14,42H,13H2,1-4H3,(H2,36,39)(H,37,41).

What are the key properties of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide has a molecular weight of 1712.22 g/mol, XLogP of 14.83, 12 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 159908510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).