N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide

C20H17N3O2 — CID 2769015

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyLTVQIFFBUBKSPP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.50
Rot. Bonds3

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide (PubChem CID 2769015) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
PubChem CID2769015
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyLTVQIFFBUBKSPP-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vuf8504
CID 10247610
3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
CID 664084
2-[(4-methoxyphenyl)amino]-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664248
N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-4-methoxybenzamide
CID 664252
2-[(4-ethylphenyl)amino]-7-(4-methoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 3601490
8-Methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 264319
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
7-(4-methoxyphenyl)-2-(phenylamino)-7,8-dihydroquinazolin-5(6H)-one
CID 16490582
4-[(4-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66763432
4-methoxy-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72201590
N-(2,6-dimethylphenyl)-4-[[5-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724860
N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724931

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide (CID 2769015) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The InChIKey is LTVQIFFBUBKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide has a molecular weight of 331.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 2769015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).