N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine

C23H25N7O — CID 168990717

IUPACN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)19-5-6-20(22(12-19)31-2)27-23-24-13-17-4-3-16(11-21(17)28-23)18-14-25-26-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,25,26)(H,24,27,28)
InChIKeyLLVXFSYZVPRBFF-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.52
Rot. Bonds5

About N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine

N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 168990717) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID168990717
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)19-5-6-20(22(12-19)31-2)27-23-24-13-17-4-3-16(11-21(17)28-23)18-14-25-26-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,25,26)(H,24,27,28)
InChIKeyLLVXFSYZVPRBFF-UHFFFAOYSA-N
XLogP3.52
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990722
5-chloro-2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-[(1R)-1-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 170241848
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2,5-dimethyl-1,1-dioxo-3,4-dihydropyrimido[4,5-f][1,2,5]thiadiazepin-7-amine
CID 90431691
1-[4-[4-[[5-fluoro-4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118105735
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(propan-2-ylamino)sulfanylphenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 166090666
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperazin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 56965976
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46844030
8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 163387130
5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 170156097
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 163486587
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081126

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine (CID 168990717) is N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine is COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
The InChIKey is LLVXFSYZVPRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)19-5-6-20(22(12-19)31-2)27-23-24-13-17-4-3-16(11-21(17)28-23)18-14-25-26-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,25,26)(H,24,27,28).
What are the key properties of N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine?
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 168990717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).