N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C25H34N4O3 — CID 53193924

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OC
InChIInChI=1S/C25H34N4O3/c1-17-9-12-29(13-10-17)25-27-16-20-15-19(5-6-21(20)28-25)24(30)26-11-8-18-4-7-22(31-2)23(14-18)32-3/h4,7,14,16-17,19H,5-6,8-13,15H2,1-3H3,(H,26,30)
InChIKeyGUNJBZRPTPFZKB-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193924) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193924
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OC
InChIInChI=1S/C25H34N4O3/c1-17-9-12-29(13-10-17)25-27-16-20-15-19(5-6-21(20)28-25)24(30)26-11-8-18-4-7-22(31-2)23(14-18)32-3/h4,7,14,16-17,19H,5-6,8-13,15H2,1-3H3,(H,26,30)
InChIKeyGUNJBZRPTPFZKB-UHFFFAOYSA-N
XLogP3.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640015
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84578601
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46346087
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193924) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is COc1ccc(CCNC(=O)C2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is GUNJBZRPTPFZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-17-9-12-29(13-10-17)25-27-16-20-15-19(5-6-21(20)28-25)24(30)26-11-8-18-4-7-22(31-2)23(14-18)32-3/h4,7,14,16-17,19H,5-6,8-13,15H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).