N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine

C17H15N7O — CID 68518029

IUPACN-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3nn[nH]n3)nc3ccccc23)cc1
InChIInChI=1S/C17H15N7O/c1-25-12-8-6-11(7-9-12)10-18-15-13-4-2-3-5-14(13)19-16(20-15)17-21-23-24-22-17/h2-9H,10H2,1H3,(H,18,19,20)(H,21,22,23,24)
InChIKeyIJLXQNGDEGPBNL-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.43
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine

N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine (PubChem CID 68518029) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
PubChem CID68518029
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3nn[nH]n3)nc3ccccc23)cc1
InChIInChI=1S/C17H15N7O/c1-25-12-8-6-11(7-9-12)10-18-15-13-4-2-3-5-14(13)19-16(20-15)17-21-23-24-22-17/h2-9H,10H2,1H3,(H,18,19,20)(H,21,22,23,24)
InChIKeyIJLXQNGDEGPBNL-UHFFFAOYSA-N
XLogP2.43
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
CID 166085594
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68518853
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine (CID 68518029) is N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine is COc1ccc(CNc2nc(-c3nn[nH]n3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine?
The InChIKey is IJLXQNGDEGPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-25-12-8-6-11(7-9-12)10-18-15-13-4-2-3-5-14(13)19-16(20-15)17-21-23-24-22-17/h2-9H,10H2,1H3,(H,18,19,20)(H,21,22,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine has a molecular weight of 333.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 68518029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).