3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one

C27H20N4O2 — CID 46209310

IUPAC3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one
SMILESCOc1ccc(Cc2cc3c(=O)n(-c4cnc5ccccn45)cnc3c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2/c1-33-20-11-9-18(10-12-20)14-19-15-23-26(22-7-3-2-6-21(19)22)29-17-31(27(23)32)25-16-28-24-8-4-5-13-30(24)25/h2-13,15-17H,14H2,1H3
InChIKeySELQGQJMHIKUEJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.79
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one

3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one (PubChem CID 46209310) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one
PubChem CID46209310
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one
SMILESCOc1ccc(Cc2cc3c(=O)n(-c4cnc5ccccn45)cnc3c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2/c1-33-20-11-9-18(10-12-20)14-19-15-23-26(22-7-3-2-6-21(19)22)29-17-31(27(23)32)25-16-28-24-8-4-5-13-30(24)25/h2-13,15-17H,14H2,1H3
InChIKeySELQGQJMHIKUEJ-UHFFFAOYSA-N
XLogP4.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
3-cyclohexyl-6-[(6-methoxy-3-pyridinyl)methyl]benzo[h]quinazolin-4-one
CID 70232676
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
CID 97032771
N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984704
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methoxy-3-pyridinyl)methyl]benzo[h]quinazolin-4-one;3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzo[h]quinazolin-4-one;iodomethane
CID 160570799
3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-methoxyphenyl)methyl]-7,8-dimethylquinazolin-4-one
CID 135309376
(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 134043010
3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one
CID 163456239
1-[2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223243
3-(1-hydroxycyclohexyl)-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4-one
CID 67370406

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one (CID 46209310) is 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one is COc1ccc(Cc2cc3c(=O)n(-c4cnc5ccccn45)cnc3c3ccccc23)cc1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one?
The InChIKey is SELQGQJMHIKUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-33-20-11-9-18(10-12-20)14-19-15-23-26(22-7-3-2-6-21(19)22)29-17-31(27(23)32)25-16-28-24-8-4-5-13-30(24)25/h2-13,15-17H,14H2,1H3.
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one?
3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one has a molecular weight of 432.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-6-[(4-methoxyphenyl)methyl]benzo[h]quinazolin-4-one is sourced from PubChem (CID 46209310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).