2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

C21H24N4O — CID 50965519

IUPAC2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CN(c1nc(CCN)nc2ccccc12)C1CC1
InChIInChI=1S/C21H24N4O/c1-26-19-9-5-2-6-15(19)14-25(16-10-11-16)21-17-7-3-4-8-18(17)23-20(24-21)12-13-22/h2-9,16H,10-14,22H2,1H3
InChIKeyPECQACDGCUMTGF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds7

About 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 50965519) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID50965519
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CN(c1nc(CCN)nc2ccccc12)C1CC1
InChIInChI=1S/C21H24N4O/c1-26-19-9-5-2-6-15(19)14-25(16-10-11-16)21-17-7-3-4-8-18(17)23-20(24-21)12-13-22/h2-9,16H,10-14,22H2,1H3
InChIKeyPECQACDGCUMTGF-UHFFFAOYSA-N
XLogP3.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122047834
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 95131269
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276
N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
N-cyclopropyl-2-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065901
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
2-(2-aminoethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylquinazolin-4-amine;dihydrochloride
CID 154888430
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 50965519) is 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CN(c1nc(CCN)nc2ccccc12)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is PECQACDGCUMTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-19-9-5-2-6-15(19)14-25(16-10-11-16)21-17-7-3-4-8-18(17)23-20(24-21)12-13-22/h2-9,16H,10-14,22H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 50965519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).