N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide

C27H33N5O2 — CID 58829888

IUPACN-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
InChIInChI=1S/C27H33N5O2/c1-19-6-7-21(26(33)30-23-4-2-3-5-23)17-24(19)20-8-9-25-22(16-20)18-29-27(31-25)28-10-11-32-12-14-34-15-13-32/h6-9,16-18,23H,2-5,10-15H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyIIEXKQMNNUTWDT-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.02
Rot. Bonds7

About N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide

N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide (PubChem CID 58829888) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
PubChem CID58829888
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
InChIInChI=1S/C27H33N5O2/c1-19-6-7-21(26(33)30-23-4-2-3-5-23)17-24(19)20-8-9-25-22(16-20)18-29-27(31-25)28-10-11-32-12-14-34-15-13-32/h6-9,16-18,23H,2-5,10-15H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyIIEXKQMNNUTWDT-UHFFFAOYSA-N
XLogP4.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
CID 58829076
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
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-[3-acetamido-4-[(1R)-1-cyclopropylethoxy]phenyl]-4-methyl-3-[2-(3-morpholin-4-ylpropylamino)quinazolin-6-yl]benzamide
CID 58829713
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
4-methyl-3-[2-(2-piperidin-1-ylethylamino)quinazolin-6-yl]-N-[2-(pyrrolidine-1-carbonyl)-5-(trifluoromethyl)phenyl]benzamide
CID 58829098
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide (CID 58829888) is N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1.
What is the InChIKey of N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The InChIKey is IIEXKQMNNUTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-19-6-7-21(26(33)30-23-4-2-3-5-23)17-24(19)20-8-9-25-22(16-20)18-29-27(31-25)28-10-11-32-12-14-34-15-13-32/h6-9,16-18,23H,2-5,10-15H2,1H3,(H,30,33)(H,28,29,31).
What are the key properties of N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide is sourced from PubChem (CID 58829888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).