N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

C20H23N5O — CID 769569

IUPACN-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCOc1ccccc1Nc1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C20H23N5O/c1-24-11-13-25(14-12-24)19-15-7-3-4-8-16(15)21-20(23-19)22-17-9-5-6-10-18(17)26-2/h3-10H,11-14H2,1-2H3,(H,21,22,23)
InChIKeyVDJSVDXVLYLFHQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.13
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (PubChem CID 769569) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
PubChem CID769569
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCOc1ccccc1Nc1nc(N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C20H23N5O/c1-24-11-13-25(14-12-24)19-15-7-3-4-8-16(15)21-20(23-19)22-17-9-5-6-10-18(17)26-2/h3-10H,11-14H2,1-2H3,(H,21,22,23)
InChIKeyVDJSVDXVLYLFHQ-UHFFFAOYSA-N
XLogP3.13
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 67719898
4-N-(2-fluorophenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]quinazoline-2,4-diamine
CID 59284628
4-N-(2-methoxyphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80769065
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 123660110
4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
CID 92914556

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (CID 769569) is N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is COc1ccccc1Nc1nc(N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The InChIKey is VDJSVDXVLYLFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-11-13-25(14-12-24)19-15-7-3-4-8-16(15)21-20(23-19)22-17-9-5-6-10-18(17)26-2/h3-10H,11-14H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 769569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).