1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C21H27N3O — CID 53321111

IUPAC1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1
InChIInChI=1S/C21H27N3O/c1-15(2)13-23-14-16-5-8-19(9-6-16)24-11-3-4-17-12-18(21(22)25)7-10-20(17)24/h5-10,12,15,23H,3-4,11,13-14H2,1-2H3,(H2,22,25)
InChIKeyWSZXJGMRKVWQMQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.62
Rot. Bonds6

About 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 53321111) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID53321111
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1
InChIInChI=1S/C21H27N3O/c1-15(2)13-23-14-16-5-8-19(9-6-16)24-11-3-4-17-12-18(21(22)25)7-10-20(17)24/h5-10,12,15,23H,3-4,11,13-14H2,1-2H3,(H2,22,25)
InChIKeyWSZXJGMRKVWQMQ-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6(5H)-Phenanthridinone
CID 1853
Ameltolide
CID 13086
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
2-Methyl-acridone
CID 419818
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
Piperazin-4-ylacetophenone
CID 97269
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 44409492

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 53321111) is 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC(C)CNCc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1.
What is the InChIKey of 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is WSZXJGMRKVWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)13-23-14-16-5-8-19(9-6-16)24-11-3-4-17-12-18(21(22)25)7-10-20(17)24/h5-10,12,15,23H,3-4,11,13-14H2,1-2H3,(H2,22,25).
What are the key properties of 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 53321111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).