N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide

C27H34N4O3 — CID 53012888

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)cc1OCC
InChIInChI=1S/C27H34N4O3/c1-4-33-23-11-10-20(18-24(23)34-5-2)12-15-28-27(32)25-29-22-9-7-6-8-21(22)26(30-25)31-16-13-19(3)14-17-31/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32)
InChIKeyUEWMJMCJKWQZTF-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.64
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide (PubChem CID 53012888) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
PubChem CID53012888
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)cc1OCC
InChIInChI=1S/C27H34N4O3/c1-4-33-23-11-10-20(18-24(23)34-5-2)12-15-28-27(32)25-29-22-9-7-6-8-21(22)26(30-25)31-16-13-19(3)14-17-31/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32)
InChIKeyUEWMJMCJKWQZTF-UHFFFAOYSA-N
XLogP4.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide
CID 46349740
4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
CID 53012870
N-[2-(3,4-diethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952055
N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181333
ethyl 4-[2-(3,4-diethoxyphenyl)ethylamino]quinazoline-2-carboxylate
CID 46349594
N-[2-(3,4-diethoxyphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26659207
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854614
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
CID 46349736
2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 23632472
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide (CID 53012888) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide is CCOc1ccc(CCNC(=O)c2nc(N3CCC(C)CC3)c3ccccc3n2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
The InChIKey is UEWMJMCJKWQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-4-33-23-11-10-20(18-24(23)34-5-2)12-15-28-27(32)25-29-22-9-7-6-8-21(22)26(30-25)31-16-13-19(3)14-17-31/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methylpiperidin-1-yl)quinazoline-2-carboxamide is sourced from PubChem (CID 53012888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).