4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

C18H18N6 — CID 159916294

IUPAC4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESCn1cnc(CNc2cc(N)nc3cc(C4=CC=NC4)ccc23)c1
InChIInChI=1S/C18H18N6/c1-24-10-14(22-11-24)9-21-16-7-18(19)23-17-6-12(2-3-15(16)17)13-4-5-20-8-13/h2-7,10-11H,8-9H2,1H3,(H3,19,21,23)
InChIKeyNXVADZYCPNOFSZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.63
Rot. Bonds4

About 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine

4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (PubChem CID 159916294) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
PubChem CID159916294
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
SMILESCn1cnc(CNc2cc(N)nc3cc(C4=CC=NC4)ccc23)c1
InChIInChI=1S/C18H18N6/c1-24-10-14(22-11-24)9-21-16-7-18(19)23-17-6-12(2-3-15(16)17)13-4-5-20-8-13/h2-7,10-11H,8-9H2,1H3,(H3,19,21,23)
InChIKeyNXVADZYCPNOFSZ-UHFFFAOYSA-N
XLogP2.63
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158180198
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
CID 163837920
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
2-pentyl-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 160701841
trans-(1S,2S)-2-[[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 165027948
2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 161370348
N-[3-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]cyclopropanesulfonamide
CID 159055313
4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417910
ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 142517054
(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 167675247
4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;cis-(1S,2R)-2-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol;4-N-(2,2-dimethylpropyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1S,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
CID 167662291

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine (CID 159916294) is 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is Cn1cnc(CNc2cc(N)nc3cc(C4=CC=NC4)ccc23)c1.
What is the InChIKey of 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
The InChIKey is NXVADZYCPNOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-24-10-14(22-11-24)9-21-16-7-18(19)23-17-6-12(2-3-15(16)17)13-4-5-20-8-13/h2-7,10-11H,8-9H2,1H3,(H3,19,21,23).
What are the key properties of 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine?
4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine has a molecular weight of 318.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine is sourced from PubChem (CID 159916294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).