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

C23H27N5O — CID 71273125

IUPACN-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
SMILESCCNCCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1
InChIInChI=1S/C23H27N5O/c1-3-24-10-11-25-23-26-14-18-12-16(6-9-21(18)28-23)20-13-17(5-4-15(20)2)22(29)27-19-7-8-19/h4-6,9,12-14,19,24H,3,7-8,10-11H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyPRDZGNMIBRXWDO-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.52
Rot. Bonds8

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

N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide (PubChem CID 71273125) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
PubChem CID71273125
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
SMILESCCNCCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1
InChIInChI=1S/C23H27N5O/c1-3-24-10-11-25-23-26-14-18-12-16(6-9-21(18)28-23)20-13-17(5-4-15(20)2)22(29)27-19-7-8-19/h4-6,9,12-14,19,24H,3,7-8,10-11H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyPRDZGNMIBRXWDO-UHFFFAOYSA-N
XLogP3.52
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.52
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-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
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-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
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-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
[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-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide (CID 71273125) is N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide is CCNCCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2n1.
What is the InChIKey of N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide?
The InChIKey is PRDZGNMIBRXWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-24-10-11-25-23-26-14-18-12-16(6-9-21(18)28-23)20-13-17(5-4-15(20)2)22(29)27-19-7-8-19/h4-6,9,12-14,19,24H,3,7-8,10-11H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 71273125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).