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

C16H15N3O — CID 2769019

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1
InChIInChI=1S/C16H15N3O/c20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-4,9,11H,5-8H2,(H,17,18,19,20)
InChIKeyDGCNMUSIEFYJII-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.59
Rot. Bonds2

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

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide (PubChem CID 2769019) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide
PubChem CID2769019
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1
InChIInChI=1S/C16H15N3O/c20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-4,9,11H,5-8H2,(H,17,18,19,20)
InChIKeyDGCNMUSIEFYJII-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
5,6-Dihydrobenzo[h]quinazolin-2-amine
CID 2763483
N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
CID 839083
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
CID 1483614
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-(propylsulfanyl)acetamide
CID 3706035
4-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzenecarboxamide
CID 1483126
N-[7-(4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 68095313
N-[7-(2-chloro-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 76401543
5,6-Dihydrobenzo(H)quinazoline hydrochloride
CID 12259516
(6aR,12aS)-5,6,6a,7,12,12a-hexahydropyrimido[4,5-b]phenanthridin-10-amine
CID 10538771
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-(isopropylsulfanyl)acetamide
CID 1479381
3-chloro-N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzenecarboxamide
CID 2769021

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide (CID 2769019) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide is O=C(Nc1ncc2c(n1)-c1ccccc1CC2)C1CC1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide?
The InChIKey is DGCNMUSIEFYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15(11-6-7-11)19-16-17-9-12-8-5-10-3-1-2-4-13(10)14(12)18-16/h1-4,9,11H,5-8H2,(H,17,18,19,20).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 2769019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).