N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide

C16H22N4O — CID 82940781

IUPACN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NC(C)CN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(10-20(3)4)18-16(21)15-9-14(17-2)12-7-5-6-8-13(12)19-15/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyASAOSGBSUQMUTC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide (PubChem CID 82940781) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
PubChem CID82940781
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NC(C)CN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(10-20(3)4)18-16(21)15-9-14(17-2)12-7-5-6-8-13(12)19-15/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyASAOSGBSUQMUTC-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide (CID 82940781) is N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide is CNc1cc(C(=O)NC(C)CN(C)C)nc2ccccc12.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide?
The InChIKey is ASAOSGBSUQMUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(10-20(3)4)18-16(21)15-9-14(17-2)12-7-5-6-8-13(12)19-15/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide is sourced from PubChem (CID 82940781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).