3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

C20H23N5O — CID 95740732

IUPAC3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESCc1ncc2c(n1)CCC[C@H]2NC(=O)CCn1ncc2c(C)cccc21
InChIInChI=1S/C20H23N5O/c1-13-5-3-8-19-15(13)12-22-25(19)10-9-20(26)24-18-7-4-6-17-16(18)11-21-14(2)23-17/h3,5,8,11-12,18H,4,6-7,9-10H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyBNVAWJKKDNEFDB-GOSISDBHSA-N
MW349.44 g/mol
LogP3.03
Rot. Bonds4

About 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (PubChem CID 95740732) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
PubChem CID95740732
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESCc1ncc2c(n1)CCC[C@H]2NC(=O)CCn1ncc2c(C)cccc21
InChIInChI=1S/C20H23N5O/c1-13-5-3-8-19-15(13)12-22-25(19)10-9-20(26)24-18-7-4-6-17-16(18)11-21-14(2)23-17/h3,5,8,11-12,18H,4,6-7,9-10H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyBNVAWJKKDNEFDB-GOSISDBHSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95930428
3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56686282
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689664
3-(6-methylindazol-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731502
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
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42473455

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The IUPAC name of 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (CID 95740732) is 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.
What is the SMILES notation for 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The canonical SMILES for 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCn1ncc2c(C)cccc21.
What is the InChIKey of 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The InChIKey is BNVAWJKKDNEFDB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-5-3-8-19-15(13)12-22-25(19)10-9-20(26)24-18-7-4-6-17-16(18)11-21-14(2)23-17/h3,5,8,11-12,18H,4,6-7,9-10H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is sourced from PubChem (CID 95740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).