1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C29H34ClN9O2 — CID 142478490

About 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 142478490) has the molecular formula C29H34ClN9O2 and a molecular weight of 576.11 g/mol. Its IUPAC name is 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
• PubChem CID: 142478490
• Molecular Formula: C29H34ClN9O2
• Molecular Weight: 576.11 g/mol
• Exact Mass: 575.25
• IUPAC Name: 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
• SMILES: CN(C)C(=O)C1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1
• InChI: InChI=1S/C29H34ClN9O2/c1-29(2,27-31-11-6-12-32-27)36-22-16-24(40)38(5)23-8-7-19(15-20(22)23)34-25-21(30)17-33-28(35-25)39-13-9-18(10-14-39)26(41)37(3)4/h6-8,11-12,15-18,36H,9-10,13-14H2,1-5H3,(H,33,34,35)
• InChIKey: RFRSEIFSGJEBFV-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 121.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.11
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 142478490) is 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1.

What is the InChIKey of 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

The InChIKey is RFRSEIFSGJEBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN9O2/c1-29(2,27-31-11-6-12-32-27)36-22-16-24(40)38(5)23-8-7-19(15-20(22)23)34-25-21(30)17-33-28(35-25)39-13-9-18(10-14-39)26(41)37(3)4/h6-8,11-12,15-18,36H,9-10,13-14H2,1-5H3,(H,33,34,35).

What are the key properties of 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?

1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 576.11 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 142478490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).