N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide

C22H23N3O3 — CID 135429095

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)12-13-25(22(27)16-8-9-16)14-20-23-19-5-3-2-4-18(19)21(26)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,26)
InChIKeyTYJCLJOYFNRMFR-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide

N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 135429095) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
PubChem CID135429095
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C2CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)12-13-25(22(27)16-8-9-16)14-20-23-19-5-3-2-4-18(19)21(26)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,26)
InChIKeyTYJCLJOYFNRMFR-UHFFFAOYSA-N
XLogP2.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
[4-[(E)-(9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]phenyl] acetate
CID 11809733
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
CID 11581337
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide (CID 135429095) is N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide is COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is TYJCLJOYFNRMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-17-10-6-15(7-11-17)12-13-25(22(27)16-8-9-16)14-20-23-19-5-3-2-4-18(19)21(26)24-20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,24,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide?
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 135429095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).