N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C23H30N4O2 — CID 71836090

IUPACN-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCc3nc(N4CCCCC4)ncc3C2)c1
InChIInChI=1S/C23H30N4O2/c1-2-29-20-8-6-7-17(13-20)15-24-22(28)18-9-10-21-19(14-18)16-25-23(26-21)27-11-4-3-5-12-27/h6-8,13,16,18H,2-5,9-12,14-15H2,1H3,(H,24,28)
InChIKeyAJJVWQHEITUAKG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.29
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71836090) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71836090
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCc3nc(N4CCCCC4)ncc3C2)c1
InChIInChI=1S/C23H30N4O2/c1-2-29-20-8-6-7-17(13-20)15-24-22(28)18-9-10-21-19(14-18)16-25-23(26-21)27-11-4-3-5-12-27/h6-8,13,16,18H,2-5,9-12,14-15H2,1H3,(H,24,28)
InChIKeyAJJVWQHEITUAKG-UHFFFAOYSA-N
XLogP3.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193997
5-N-[(3-ethoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53188035
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71836090) is N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCOc1cccc(CNC(=O)C2CCc3nc(N4CCCCC4)ncc3C2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is AJJVWQHEITUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-29-20-8-6-7-17(13-20)15-24-22(28)18-9-10-21-19(14-18)16-25-23(26-21)27-11-4-3-5-12-27/h6-8,13,16,18H,2-5,9-12,14-15H2,1H3,(H,24,28).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71836090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).