N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide

C24H27N5O — CID 58829680

IUPACN-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3)ncc2c1
InChIInChI=1S/C24H27N5O/c1-15-4-5-17(23(30)28-19-7-8-19)12-21(15)16-6-9-22-18(11-16)13-26-24(29-22)27-14-20-3-2-10-25-20/h4-6,9,11-13,19-20,25H,2-3,7-8,10,14H2,1H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
InChIKeyQQFFCFROEYPHAO-HXUWFJFHSA-N
MW401.51 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide (PubChem CID 58829680) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
PubChem CID58829680
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3)ncc2c1
InChIInChI=1S/C24H27N5O/c1-15-4-5-17(23(30)28-19-7-8-19)12-21(15)16-6-9-22-18(11-16)13-26-24(29-22)27-14-20-3-2-10-25-20/h4-6,9,11-13,19-20,25H,2-3,7-8,10,14H2,1H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
InChIKeyQQFFCFROEYPHAO-HXUWFJFHSA-N
XLogP3.66
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-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
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
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-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 25017640
[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-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide (CID 58829680) is N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC[C@H]3CCCN3)ncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
The InChIKey is QQFFCFROEYPHAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15-4-5-17(23(30)28-19-7-8-19)12-21(15)16-6-9-22-18(11-16)13-26-24(29-22)27-14-20-3-2-10-25-20/h4-6,9,11-13,19-20,25H,2-3,7-8,10,14H2,1H3,(H,28,30)(H,26,27,29)/t20-/m1/s1.
What are the key properties of N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.66, 6 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-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 58829680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).