[5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid

C30H30F2N8O4 — CID 66632475

About [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid

[5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid (PubChem CID 66632475) has the molecular formula C30H30F2N8O4 and a molecular weight of 604.62 g/mol. Its IUPAC name is [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid
• PubChem CID: 66632475
• Molecular Formula: C30H30F2N8O4
• Molecular Weight: 604.62 g/mol
• Exact Mass: 604.24
• IUPAC Name: [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid
• SMILES: Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)O)nc1
• InChI: InChI=1S/C30H30F2N8O4/c1-16-26(25-20(32)8-18(31)9-22(25)37-27(16)40-15-30(2,3)11-24(40)41)36-21-10-23(39-4-6-44-7-5-39)33-14-19(21)17-12-34-28(35-13-17)38-29(42)43/h8-10,12-14H,4-7,11,15H2,1-3H3,(H,42,43)(H,33,36,37)(H,34,35,38)
• InChIKey: DVDJQDURHJJKBM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 145.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid?

The IUPAC name of [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid (CID 66632475) is [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid.

What is the SMILES notation for [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid?

The canonical SMILES for [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid is Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)O)nc1.

What is the InChIKey of [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid?

The InChIKey is DVDJQDURHJJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O4/c1-16-26(25-20(32)8-18(31)9-22(25)37-27(16)40-15-30(2,3)11-24(40)41)36-21-10-23(39-4-6-44-7-5-39)33-14-19(21)17-12-34-28(35-13-17)38-29(42)43/h8-10,12-14H,4-7,11,15H2,1-3H3,(H,42,43)(H,33,36,37)(H,34,35,38).

What are the key properties of [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid?

[5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid has a molecular weight of 604.62 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid is sourced from PubChem (CID 66632475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).