N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine

C20H23N5 — CID 172643636

IUPACN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCc1cccc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)c1
InChIInChI=1S/C20H23N5/c1-15-4-3-5-16(12-15)23-17-6-7-18-19(13-17)21-14-22-20(18)25-10-8-24(2)9-11-25/h3-7,12-14,23H,8-11H2,1-2H3
InChIKeyORCBPELTTSTXRX-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.43
Rot. Bonds3

About N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine

N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine (PubChem CID 172643636) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
PubChem CID172643636
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
SMILESCc1cccc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)c1
InChIInChI=1S/C20H23N5/c1-15-4-3-5-16(12-15)23-17-6-7-18-19(13-17)21-14-22-20(18)25-10-8-24(2)9-11-25/h3-7,12-14,23H,8-11H2,1-2H3
InChIKeyORCBPELTTSTXRX-UHFFFAOYSA-N
XLogP3.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The IUPAC name of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine (CID 172643636) is N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine is Cc1cccc(Nc2ccc3c(N4CCN(C)CC4)ncnc3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
The InChIKey is ORCBPELTTSTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-4-3-5-16(12-15)23-17-6-7-18-19(13-17)21-14-22-20(18)25-10-8-24(2)9-11-25/h3-7,12-14,23H,8-11H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine?
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine has a molecular weight of 333.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 172643636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).