N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide

C17H17N7O — CID 95740937

IUPACN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H17N7O/c1-11-18-9-14-15(20-11)3-2-4-16(14)21-17(25)12-5-7-13(8-6-12)24-10-19-22-23-24/h5-10,16H,2-4H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyGUBOFJFVHGTTQF-INIZCTEOSA-N
MW335.37 g/mol
LogP1.57
Rot. Bonds3

About N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide

N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 95740937) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID95740937
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H17N7O/c1-11-18-9-14-15(20-11)3-2-4-16(14)21-17(25)12-5-7-13(8-6-12)24-10-19-22-23-24/h5-10,16H,2-4H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyGUBOFJFVHGTTQF-INIZCTEOSA-N
XLogP1.57
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
CID 95384990
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 75375699
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
(2S)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 95740686

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide (CID 95740937) is N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide is Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GUBOFJFVHGTTQF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-18-9-14-15(20-11)3-2-4-16(14)21-17(25)12-5-7-13(8-6-12)24-10-19-22-23-24/h5-10,16H,2-4H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide?
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 335.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95740937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).