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

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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).