6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one

C20H17ClN6O — CID 135385810

IUPAC6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCc2ncccn2)c2cc(Nc3ccnc(Cl)c3)ccc21
InChIInChI=1S/C20H17ClN6O/c1-27-17-4-3-13(26-14-5-8-22-18(21)10-14)9-15(17)16(11-20(27)28)25-12-19-23-6-2-7-24-19/h2-11,25H,12H2,1H3,(H,22,26)
InChIKeyJPANFGJBZHNDGT-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.73
Rot. Bonds5

About 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one

6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one (PubChem CID 135385810) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one.

Molecular Properties

Compound Name6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one
PubChem CID135385810
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCc2ncccn2)c2cc(Nc3ccnc(Cl)c3)ccc21
InChIInChI=1S/C20H17ClN6O/c1-27-17-4-3-13(26-14-5-8-22-18(21)10-14)9-15(17)16(11-20(27)28)25-12-19-23-6-2-7-24-19/h2-11,25H,12H2,1H3,(H,22,26)
InChIKeyJPANFGJBZHNDGT-UHFFFAOYSA-N
XLogP3.73
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

AV-412 free base
CID 9806229
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(4-methylpiperazin-1-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328708
3-(2,6-Dichlorophenyl)-1-methyl-7-{[5-(4-methylpiperazin-1-yl)pentyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328709
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328720
2-Aminoquinazoline 31
CID 5330329
Pyrido[2,3-d]pyrimidin-7-one 11
CID 5330338
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one?
The IUPAC name of 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one (CID 135385810) is 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one.
What is the SMILES notation for 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one?
The canonical SMILES for 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one is Cn1c(=O)cc(NCc2ncccn2)c2cc(Nc3ccnc(Cl)c3)ccc21.
What is the InChIKey of 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one?
The InChIKey is JPANFGJBZHNDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-27-17-4-3-13(26-14-5-8-22-18(21)10-14)9-15(17)16(11-20(27)28)25-12-19-23-6-2-7-24-19/h2-11,25H,12H2,1H3,(H,22,26).
What are the key properties of 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one?
6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one has a molecular weight of 392.85 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-pyridinyl)amino]-1-methyl-4-(pyrimidin-2-ylmethylamino)quinolin-2-one is sourced from PubChem (CID 135385810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).