N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide

C25H28ClN5O2 — CID 67599421

IUPACN-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(C3CNc4cc(Cl)ccc43)ncnc2cc1OCCCCN(C)C
InChIInChI=1S/C25H28ClN5O2/c1-4-24(32)30-22-12-18-21(13-23(22)33-10-6-5-9-31(2)3)28-15-29-25(18)19-14-27-20-11-16(26)7-8-17(19)20/h4,7-8,11-13,15,19,27H,1,5-6,9-10,14H2,2-3H3,(H,30,32)
InChIKeySGNGLMCHIGFNRJ-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.69
Rot. Bonds9

About N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide

N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide (PubChem CID 67599421) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
PubChem CID67599421
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(C3CNc4cc(Cl)ccc43)ncnc2cc1OCCCCN(C)C
InChIInChI=1S/C25H28ClN5O2/c1-4-24(32)30-22-12-18-21(13-23(22)33-10-6-5-9-31(2)3)28-15-29-25(18)19-14-27-20-11-16(26)7-8-17(19)20/h4,7-8,11-13,15,19,27H,1,5-6,9-10,14H2,2-3H3,(H,30,32)
InChIKeySGNGLMCHIGFNRJ-UHFFFAOYSA-N
XLogP4.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide 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

N'-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)quinazolin-6-yl]-N-[3-(dimethylamino)propyl]but-2-enediamide
CID 67601151
N-[4-(6-chloro-2,3-dihydroindol-1-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
CID 22122558
2-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)quinazolin-6-yl]prop-2-enoic acid
CID 67599287
N-[7-[4-(dimethylamino)butoxy]-4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535828
N-[2-[4-(4,5-dichloro-2-fluoroanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]propanamide
CID 69100536
N-[4-(6-chloro-2,3-dihydroindol-1-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 22122550
N-[4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]quinazolin-6-yl]prop-2-enamide
CID 69319880
N-[4-(4-bromo-2-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]prop-2-enamide
CID 16679053
N-[7-[2-[acetyl(azetidin-2-yl)amino]ethoxy]-4-(4-bromo-2-fluoroanilino)quinazolin-6-yl]prop-2-enamide
CID 69101071
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-[2-[2-(dimethylamino)cyclopropyl]ethoxy]quinazolin-6-yl]prop-2-enamide
CID 175207261
N-[2-[4-(4-bromo-2-fluoroanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]cyclopropanecarboxamide
CID 16678860
N-[4-[[7-(2-methoxyethoxy)-6-(prop-2-enoylamino)quinazolin-4-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 66556108

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide?
The IUPAC name of N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide (CID 67599421) is N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide?
The canonical SMILES for N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(C3CNc4cc(Cl)ccc43)ncnc2cc1OCCCCN(C)C.
What is the InChIKey of N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide?
The InChIKey is SGNGLMCHIGFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-4-24(32)30-22-12-18-21(13-23(22)33-10-6-5-9-31(2)3)28-15-29-25(18)19-14-27-20-11-16(26)7-8-17(19)20/h4,7-8,11-13,15,19,27H,1,5-6,9-10,14H2,2-3H3,(H,30,32).
What are the key properties of N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide?
N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide has a molecular weight of 465.99 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2,3-dihydro-1H-indol-3-yl)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide is sourced from PubChem (CID 67599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).