6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one

C24H21ClN4O2 — CID 3454528

IUPAC6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cccn3c(=O)c4ccccc4nc23)CC1
InChIInChI=1S/C24H21ClN4O2/c1-16-8-9-17(25)15-21(16)27-11-13-28(14-12-27)23(30)19-6-4-10-29-22(19)26-20-7-3-2-5-18(20)24(29)31/h2-10,15H,11-14H2,1H3
InChIKeyKIBLYWHXNPQDCZ-UHFFFAOYSA-N
MW432.91 g/mol
LogP3.77
Rot. Bonds2

About 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (PubChem CID 3454528) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
PubChem CID3454528
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cccn3c(=O)c4ccccc4nc23)CC1
InChIInChI=1S/C24H21ClN4O2/c1-16-8-9-17(25)15-21(16)27-11-13-28(14-12-27)23(30)19-6-4-10-29-22(19)26-20-7-3-2-5-18(20)24(29)31/h2-10,15H,11-14H2,1H3
InChIKeyKIBLYWHXNPQDCZ-UHFFFAOYSA-N
XLogP3.77
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5083314
6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 5083148
10-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 15994215
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
10-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 4178688
N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 1019161

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one (CID 3454528) is 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccn3c(=O)c4ccccc4nc23)CC1.
What is the InChIKey of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
The InChIKey is KIBLYWHXNPQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16-8-9-17(25)15-21(16)27-11-13-28(14-12-27)23(30)19-6-4-10-29-22(19)26-20-7-3-2-5-18(20)24(29)31/h2-10,15H,11-14H2,1H3.
What are the key properties of 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one?
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one has a molecular weight of 432.91 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 3454528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).