N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine

C29H32N6O — CID 175553560

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(-c5ccc(C6CNCCO6)cc5)cc4n3)c2)CC1
InChIInChI=1S/C29H32N6O/c1-34-12-14-35(15-13-34)26-4-2-3-25(18-26)32-29-31-19-24-10-9-23(17-27(24)33-29)21-5-7-22(8-6-21)28-20-30-11-16-36-28/h2-10,17-19,28,30H,11-16,20H2,1H3,(H,31,32,33)
InChIKeyYHDZJHVBIPUZQY-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.45
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine (PubChem CID 175553560) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine
PubChem CID175553560
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(-c5ccc(C6CNCCO6)cc5)cc4n3)c2)CC1
InChIInChI=1S/C29H32N6O/c1-34-12-14-35(15-13-34)26-4-2-3-25(18-26)32-29-31-19-24-10-9-23(17-27(24)33-29)21-5-7-22(8-6-21)28-20-30-11-16-36-28/h2-10,17-19,28,30H,11-16,20H2,1H3,(H,31,32,33)
InChIKeyYHDZJHVBIPUZQY-UHFFFAOYSA-N
XLogP4.45
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 67102042
methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
CID 157148191
4-(1-methylbenzimidazol-5-yl)-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
CID 175440412
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990717
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011
N-[3-[7-chloro-2-(4-morpholin-2-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 175012181
7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711673
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(1-methylsulfonylpyrazol-4-yl)quinazolin-2-amine;molecular hydrogen
CID 145226282
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158357613

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine (CID 175553560) is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine is CN1CCN(c2cccc(Nc3ncc4ccc(-c5ccc(C6CNCCO6)cc5)cc4n3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
The InChIKey is YHDZJHVBIPUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-34-12-14-35(15-13-34)26-4-2-3-25(18-26)32-29-31-19-24-10-9-23(17-27(24)33-29)21-5-7-22(8-6-21)28-20-30-11-16-36-28/h2-10,17-19,28,30H,11-16,20H2,1H3,(H,31,32,33).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine?
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine has a molecular weight of 480.62 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-morpholin-2-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 175553560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).