2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

C17H25N3O2 — CID 95930428

IUPAC2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H25N3O2/c1-12-18-11-13-14(19-12)6-5-7-15(13)20-16(21)10-17(22)8-3-2-4-9-17/h11,15,22H,2-10H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyHTUVKSFNYQFTJQ-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.36
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (PubChem CID 95930428) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
PubChem CID95930428
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H25N3O2/c1-12-18-11-13-14(19-12)6-5-7-15(13)20-16(21)10-17(22)8-3-2-4-9-17/h11,15,22H,2-10H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyHTUVKSFNYQFTJQ-HNNXBMFYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71689668
2-(1-hydroxycyclopentyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111430151
3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740732
2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689664
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
CID 95384990
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (CID 95930428) is 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The InChIKey is HTUVKSFNYQFTJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-18-11-13-14(19-12)6-5-7-15(13)20-16(21)10-17(22)8-3-2-4-9-17/h11,15,22H,2-10H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is sourced from PubChem (CID 95930428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).