5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C19H17N5O — CID 123745682

IUPAC5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CC(c1ccccc1-c1cccnc1)CC2N=O
InChIInChI=1S/C19H17N5O/c20-19-22-11-16-17(23-19)8-13(9-18(16)24-25)15-6-2-1-5-14(15)12-4-3-7-21-10-12/h1-7,10-11,13,18H,8-9H2,(H2,20,22,23)
InChIKeyDNFZPQAXDOHCDH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.66
Rot. Bonds3

About 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine

5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 123745682) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID123745682
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CC(c1ccccc1-c1cccnc1)CC2N=O
InChIInChI=1S/C19H17N5O/c20-19-22-11-16-17(23-19)8-13(9-18(16)24-25)15-6-2-1-5-14(15)12-4-3-7-21-10-12/h1-7,10-11,13,18H,8-9H2,(H2,20,22,23)
InChIKeyDNFZPQAXDOHCDH-UHFFFAOYSA-N
XLogP3.66
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-amino-7-(2-pyridin-4-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596727
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750894
3-[2-[4-(4-tert-butylphenyl)cyclohexa-2,5-dien-1-yl]phenyl]pyridine
CID 173148160
7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-piperidin-4-yloxyimino-7,8-dihydro-6H-quinazolin-2-amine
CID 78111250
2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71210258
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
5-[3-(dimethylamino)propoxyimino]-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 76750908
(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
CID 129282996
3-[10-(4-pentacyclo[14.3.1.114,18.02,7.08,13]henicosa-2(7),3,5,8,10,12-hexaenyl)anthracen-9-yl]pyridine
CID 156577069

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 123745682) is 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1ncc2c(n1)CC(c1ccccc1-c1cccnc1)CC2N=O.
What is the InChIKey of 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is DNFZPQAXDOHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-19-22-11-16-17(23-19)8-13(9-18(16)24-25)15-6-2-1-5-14(15)12-4-3-7-21-10-12/h1-7,10-11,13,18H,8-9H2,(H2,20,22,23).
What are the key properties of 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 123745682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).