N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide

C24H29N5O — CID 58829322

IUPACN-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1
InChIInChI=1S/C24H29N5O/c1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29)
InChIKeyFUTGIFRWRURQCB-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.91
Rot. Bonds8

About N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide (PubChem CID 58829322) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
PubChem CID58829322
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1
InChIInChI=1S/C24H29N5O/c1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29)
InChIKeyFUTGIFRWRURQCB-UHFFFAOYSA-N
XLogP3.91
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
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
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
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
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
tert-butyl N-[5-[[6-[5-(cyclopropylcarbamoyl)-2-methoxyphenyl]quinazolin-2-yl]amino]pentyl]carbamate
CID 123528758

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide (CID 58829322) is N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The InChIKey is FUTGIFRWRURQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 58829322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).