N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide

C18H22N4O4 — CID 68679496

IUPACN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCc3nc(N)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C18H22N4O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(23)21-12-4-5-13-11(6-12)9-20-18(19)22-13/h7-9,12H,4-6H2,1-3H3,(H,21,23)(H2,19,20,22)
InChIKeyOELKBENABATBDQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.37
Rot. Bonds5

About N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide

N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide (PubChem CID 68679496) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide
PubChem CID68679496
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCc3nc(N)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C18H22N4O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(23)21-12-4-5-13-11(6-12)9-20-18(19)22-13/h7-9,12H,4-6H2,1-3H3,(H,21,23)(H2,19,20,22)
InChIKeyOELKBENABATBDQ-UHFFFAOYSA-N
XLogP1.37
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
CID 68679492
thiophen-2-yl N-[6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]carbamate
CID 11648740
methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 99991123
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
CID 68679841
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide (CID 68679496) is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CCc3nc(N)ncc3C2)cc(OC)c1OC.
What is the InChIKey of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is OELKBENABATBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(23)21-12-4-5-13-11(6-12)9-20-18(19)22-13/h7-9,12H,4-6H2,1-3H3,(H,21,23)(H2,19,20,22).
What are the key properties of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 68679496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).