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

C22H24N4O — CID 71211058

IUPACN-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(CN(C)C)ncc2c1
InChIInChI=1S/C22H24N4O/c1-14-4-5-16(22(27)24-18-7-8-18)11-19(14)15-6-9-20-17(10-15)12-23-21(25-20)13-26(2)3/h4-6,9-12,18H,7-8,13H2,1-3H3,(H,24,27)
InChIKeyGTBIXGIKJBSHCZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.56
Rot. Bonds5

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

N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide (PubChem CID 71211058) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
PubChem CID71211058
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(CN(C)C)ncc2c1
InChIInChI=1S/C22H24N4O/c1-14-4-5-16(22(27)24-18-7-8-18)11-19(14)15-6-9-20-17(10-15)12-23-21(25-20)13-26(2)3/h4-6,9-12,18H,7-8,13H2,1-3H3,(H,24,27)
InChIKeyGTBIXGIKJBSHCZ-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
CID 71268473
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
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
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-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 91394925
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide (CID 71211058) is N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(CN(C)C)ncc2c1.
What is the InChIKey of N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide?
The InChIKey is GTBIXGIKJBSHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-4-5-16(22(27)24-18-7-8-18)11-19(14)15-6-9-20-17(10-15)12-23-21(25-20)13-26(2)3/h4-6,9-12,18H,7-8,13H2,1-3H3,(H,24,27).
What are the key properties of N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 71211058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).