6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one

C23H21ClN4O2 — CID 75995416

IUPAC6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one
SMILESO=c1c2cc(Cc3ccc(Cl)nc3)c3cnccc3c2ncn1C1CCCCC1O
InChIInChI=1S/C23H21ClN4O2/c24-21-6-5-14(11-26-21)9-15-10-17-22(16-7-8-25-12-18(15)16)27-13-28(23(17)30)19-3-1-2-4-20(19)29/h5-8,10-13,19-20,29H,1-4,9H2
InChIKeyWNSHBQCGDPOIEQ-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.06
Rot. Bonds3

About 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one

6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one (PubChem CID 75995416) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one.

Molecular Properties

Compound Name6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one
PubChem CID75995416
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one
SMILESO=c1c2cc(Cc3ccc(Cl)nc3)c3cnccc3c2ncn1C1CCCCC1O
InChIInChI=1S/C23H21ClN4O2/c24-21-6-5-14(11-26-21)9-15-10-17-22(16-7-8-25-12-18(15)16)27-13-28(23(17)30)19-3-1-2-4-20(19)29/h5-8,10-13,19-20,29H,1-4,9H2
InChIKeyWNSHBQCGDPOIEQ-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]benzo[h]quinazolin-4-one
CID 46208126
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]pyrido[2,3-h]quinazolin-4-one
CID 53260770
3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-morpholin-4-ylphenyl)methyl]pyrido[3,4-h]quinazolin-4-one
CID 53261550
6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycycloheptyl)-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-one
CID 130407289
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]-8-methylquinazolin-4-one
CID 130407482
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-(methylamino)cyclohexyl]benzo[h]quinazolin-4-one
CID 46208973
6-[(6-chloro-3-pyridinyl)methyl]-3-(3-hydroxyoxan-4-yl)benzo[h]quinazolin-4-one
CID 75598971
3-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-hydroxyprop-2-enyl)phenyl]methyl]pyrido[3,4-h]quinazolin-4-one;3-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-hydroxypropyl)phenyl]methyl]pyrido[3,4-h]quinazolin-4-one;methane
CID 159274633
6-[(6-chloro-3-pyridinyl)methyl]-8-(dimethylamino)-7-ethenyl-3-(2-hydroxycyclohexyl)quinazolin-4-one
CID 123846102
6-[(6-acetyl-3-pyridinyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]benzo[h]quinazolin-4-one
CID 46208745
3-(1-acetyl-3-hydroxypiperidin-4-yl)-6-[(6-chloro-3-pyridinyl)methyl]benzo[h]quinazolin-4-one
CID 75599129
3-[(1S,2S)-2-hydroxycyclohexyl]-6-[[6-(6-methyl-3-pyridinyl)-3-pyridinyl]methyl]benzo[h]quinazolin-4-one
CID 46208389

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one?
The IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one (CID 75995416) is 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one.
What is the SMILES notation for 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one?
The canonical SMILES for 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one is O=c1c2cc(Cc3ccc(Cl)nc3)c3cnccc3c2ncn1C1CCCCC1O.
What is the InChIKey of 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one?
The InChIKey is WNSHBQCGDPOIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-21-6-5-14(11-26-21)9-15-10-17-22(16-7-8-25-12-18(15)16)27-13-28(23(17)30)19-3-1-2-4-20(19)29/h5-8,10-13,19-20,29H,1-4,9H2.
What are the key properties of 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one?
6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one has a molecular weight of 420.90 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-3-pyridinyl)methyl]-3-(2-hydroxycyclohexyl)pyrido[3,4-h]quinazolin-4-one is sourced from PubChem (CID 75995416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).