2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one

C25H21N3O — CID 154836886

IUPAC2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC2CC3c4ccccc4C2c2ccccc23)nc2ccccc12
InChIInChI=1S/C25H21N3O/c29-24-20-11-5-6-12-22(20)27-25(28-24)26-14-15-13-21-16-7-1-3-9-18(16)23(15)19-10-4-2-8-17(19)21/h1-12,15,21,23H,13-14H2,(H2,26,27,28,29)
InChIKeyZPOQJJWXYZIROF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.63
Rot. Bonds3

About 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one

2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one (PubChem CID 154836886) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one
PubChem CID154836886
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCC2CC3c4ccccc4C2c2ccccc23)nc2ccccc12
InChIInChI=1S/C25H21N3O/c29-24-20-11-5-6-12-22(20)27-25(28-24)26-14-15-13-21-16-7-1-3-9-18(16)23(15)19-10-4-2-8-17(19)21/h1-12,15,21,23H,13-14H2,(H2,26,27,28,29)
InChIKeyZPOQJJWXYZIROF-UHFFFAOYSA-N
XLogP4.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-3H-quinazolin-4-one
CID 137271068
2-[(4-hydroxyoxan-4-yl)methylamino]-3H-quinazolin-4-one
CID 137271007
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078

Frequently Asked Questions

What is the IUPAC name of 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one?
The IUPAC name of 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one (CID 154836886) is 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one is O=c1[nH]c(NCC2CC3c4ccccc4C2c2ccccc23)nc2ccccc12.
What is the InChIKey of 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one?
The InChIKey is ZPOQJJWXYZIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-24-20-11-5-6-12-22(20)27-25(28-24)26-14-15-13-21-16-7-1-3-9-18(16)23(15)19-10-4-2-8-17(19)21/h1-12,15,21,23H,13-14H2,(H2,26,27,28,29).
What are the key properties of 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one?
2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 154836886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).