4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide

C24H27N3O2 — CID 156547102

IUPAC4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NC3CC3)c(NCc3ccccc3)c2cc1C(C)C
InChIInChI=1S/C24H27N3O2/c1-15(2)18-11-19-21(12-22(18)29-3)25-14-20(24(28)27-17-9-10-17)23(19)26-13-16-7-5-4-6-8-16/h4-8,11-12,14-15,17H,9-10,13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyDMKXCYVISVMFGY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.87
Rot. Bonds7

About 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide

4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide (PubChem CID 156547102) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide
PubChem CID156547102
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NC3CC3)c(NCc3ccccc3)c2cc1C(C)C
InChIInChI=1S/C24H27N3O2/c1-15(2)18-11-19-21(12-22(18)29-3)25-14-20(24(28)27-17-9-10-17)23(19)26-13-16-7-5-4-6-8-16/h4-8,11-12,14-15,17H,9-10,13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyDMKXCYVISVMFGY-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfonylethyl)quinoline-3-carboxamide
CID 158382591
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
CID 162701297
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
4-amino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;1-[4-anilino-7-fluoro-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-7-methyl-6-(2-propylsulfinylethyl)quinolin-3-yl]propan-1-one;N-cyclopropyl-7-(hydroxymethyl)-4-[(4-methoxyphenyl)methylamino]-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 157263868

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide (CID 156547102) is 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide is COc1cc2ncc(C(=O)NC3CC3)c(NCc3ccccc3)c2cc1C(C)C.
What is the InChIKey of 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide?
The InChIKey is DMKXCYVISVMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15(2)18-11-19-21(12-22(18)29-3)25-14-20(24(28)27-17-9-10-17)23(19)26-13-16-7-5-4-6-8-16/h4-8,11-12,14-15,17H,9-10,13H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide?
4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-cyclopropyl-7-methoxy-6-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 156547102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).