N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide

C27H29N7O — CID 139310528

IUPACN-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1
InChIInChI=1S/C27H29N7O/c1-3-25(35)30-22-15-20(16-28-18-22)24-6-4-5-19-17-29-27(32-26(19)24)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h4-10,15-18H,3,11-14H2,1-2H3,(H,30,35)(H,29,31,32)
InChIKeyQIAUXIRLXYHZLX-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.54
Rot. Bonds6

About N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide

N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide (PubChem CID 139310528) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide
PubChem CID139310528
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC NameN-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1
InChIInChI=1S/C27H29N7O/c1-3-25(35)30-22-15-20(16-28-18-22)24-6-4-5-19-17-29-27(32-26(19)24)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h4-10,15-18H,3,11-14H2,1-2H3,(H,30,35)(H,29,31,32)
InChIKeyQIAUXIRLXYHZLX-UHFFFAOYSA-N
XLogP4.54
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 154060383
8-(3-aminophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;methane;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 162105137
(Z)-but-2-enedial;N-[3-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide;methanol
CID 144797268
2-(methylamino)-6-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]benzaldehyde
CID 138463164
N-[3-[5-chloro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide
CID 154987256
N,1-dimethyl-4-[4-[[8-[3-(prop-2-enoylamino)phenyl]quinazolin-2-yl]amino]phenyl]piperazine-2-carboxamide
CID 123909291
N-[3-[2-[[5-isocyano-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 140774294
N-[3-[2-[4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 152847029
N-[4-(4-ethylpiperazin-1-yl)phenyl]-8-(2-fluorophenyl)quinazolin-2-amine
CID 141446254
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843
4-[2-[3-(4-ethylpiperazin-1-yl)anilino]quinazolin-8-yl]benzamide
CID 145226202
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide (CID 139310528) is N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1.
What is the InChIKey of N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide?
The InChIKey is QIAUXIRLXYHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-3-25(35)30-22-15-20(16-28-18-22)24-6-4-5-19-17-29-27(32-26(19)24)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h4-10,15-18H,3,11-14H2,1-2H3,(H,30,35)(H,29,31,32).
What are the key properties of N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide?
N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide has a molecular weight of 467.58 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 139310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).