(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide

C27H29ClFN7O5 — CID 130243253

IUPAC(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCO[C@@H](C(=O)NC4=CC(Cl)=C(C#N)NC4)C3)c(F)cc21
InChIInChI=1S/C27H29ClFN7O5/c1-14(2)36-22-9-19(29)20(8-17(22)25(38)35(27(36)40)12-15-3-4-15)33-26(39)34-5-6-41-23(13-34)24(37)32-16-7-18(28)21(10-30)31-11-16/h7-9,14-15,23,31H,3-6,11-13H2,1-2H3,(H,32,37)(H,33,39)/t23-/m1/s1
InChIKeyXUEJNFHLZOKVKJ-HSZRJFAPSA-N
MW586.02 g/mol
LogP2.10
Rot. Bonds6

About (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide

(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide (PubChem CID 130243253) has the molecular formula C27H29ClFN7O5 and a molecular weight of 586.02 g/mol. Its IUPAC name is (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide
PubChem CID130243253
Molecular FormulaC27H29ClFN7O5
Molecular Weight586.02 g/mol
Exact Mass585.19
IUPAC Name(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCO[C@@H](C(=O)NC4=CC(Cl)=C(C#N)NC4)C3)c(F)cc21
InChIInChI=1S/C27H29ClFN7O5/c1-14(2)36-22-9-19(29)20(8-17(22)25(38)35(27(36)40)12-15-3-4-15)33-26(39)34-5-6-41-23(13-34)24(37)32-16-7-18(28)21(10-30)31-11-16/h7-9,14-15,23,31H,3-6,11-13H2,1-2H3,(H,32,37)(H,33,39)/t23-/m1/s1
InChIKeyXUEJNFHLZOKVKJ-HSZRJFAPSA-N
XLogP2.10
TPSA150.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.02
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide (CID 130243253) is (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide is CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCO[C@@H](C(=O)NC4=CC(Cl)=C(C#N)NC4)C3)c(F)cc21.
What is the InChIKey of (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide?
The InChIKey is XUEJNFHLZOKVKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H29ClFN7O5/c1-14(2)36-22-9-19(29)20(8-17(22)25(38)35(27(36)40)12-15-3-4-15)33-26(39)34-5-6-41-23(13-34)24(37)32-16-7-18(28)21(10-30)31-11-16/h7-9,14-15,23,31H,3-6,11-13H2,1-2H3,(H,32,37)(H,33,39)/t23-/m1/s1.
What are the key properties of (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide?
(2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide has a molecular weight of 586.02 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(5-chloro-6-cyano-1,2-dihydropyridin-3-yl)-4-N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 130243253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).