6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine

C20H24N6O2 — CID 14069013

IUPAC6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nccc(C)n4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C20H24N6O2/c1-13-4-5-22-20(23-13)26-8-6-25(7-9-26)19-11-15(21)14-10-17(27-2)18(28-3)12-16(14)24-19/h4-5,10-12H,6-9H2,1-3H3,(H2,21,24)
InChIKeyLXVJVCNHJIUHQS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.26
Rot. Bonds4

About 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine

6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine (PubChem CID 14069013) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine
PubChem CID14069013
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nccc(C)n4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C20H24N6O2/c1-13-4-5-22-20(23-13)26-8-6-25(7-9-26)19-11-15(21)14-10-17(27-2)18(28-3)12-16(14)24-19/h4-5,10-12H,6-9H2,1-3H3,(H2,21,24)
InChIKeyLXVJVCNHJIUHQS-UHFFFAOYSA-N
XLogP2.26
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Gefitinib
CID 123631
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Bunazosin
CID 2472
PD-153035
CID 4705
Icotinib
CID 22024915
Taprizosin
CID 6433102
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
Abanoquil
CID 164089

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine (CID 14069013) is 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine is COc1cc2nc(N3CCN(c4nccc(C)n4)CC3)cc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine?
The InChIKey is LXVJVCNHJIUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-4-5-22-20(23-13)26-8-6-25(7-9-26)19-11-15(21)14-10-17(27-2)18(28-3)12-16(14)24-19/h4-5,10-12H,6-9H2,1-3H3,(H2,21,24).
What are the key properties of 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine?
6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine has a molecular weight of 380.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]quinolin-4-amine is sourced from PubChem (CID 14069013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).