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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Related Compounds

4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 141350801
N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 175169105
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
N-[4-(2-ethoxy-4-fluorophenyl)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 175172224
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
CID 70925053
4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
CID 57283012
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739

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).