N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide

C26H33N5O — CID 71273123

IUPACN-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
SMILESCCNCCCC(C)Nc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1
InChIInChI=1S/C26H33N5O/c1-4-27-13-5-6-18(3)29-26-28-16-21-14-19(9-12-24(21)31-26)23-15-20(8-7-17(23)2)25(32)30-22-10-11-22/h7-9,12,14-16,18,22,27H,4-6,10-11,13H2,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyMKCKHANGWRAPRO-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.69
Rot. Bonds10

About N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide

N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide (PubChem CID 71273123) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
PubChem CID71273123
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
SMILESCCNCCCC(C)Nc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1
InChIInChI=1S/C26H33N5O/c1-4-27-13-5-6-18(3)29-26-28-16-21-14-19(9-12-24(21)31-26)23-15-20(8-7-17(23)2)25(32)30-22-10-11-22/h7-9,12,14-16,18,22,27H,4-6,10-11,13H2,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyMKCKHANGWRAPRO-UHFFFAOYSA-N
XLogP4.69
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide 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-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829680
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
[3-[(2S)-2-[[6-[5-(ethylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]propyl]phenyl]methylcarbamic acid
CID 69467559
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide (CID 71273123) is N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide is CCNCCCC(C)Nc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1.
What is the InChIKey of N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide?
The InChIKey is MKCKHANGWRAPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-4-27-13-5-6-18(3)29-26-28-16-21-14-19(9-12-24(21)31-26)23-15-20(8-7-17(23)2)25(32)30-22-10-11-22/h7-9,12,14-16,18,22,27H,4-6,10-11,13H2,1-3H3,(H,30,32)(H,28,29,31).
What are the key properties of N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide has a molecular weight of 431.58 g/mol, XLogP of 4.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 71273123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).