6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

C16H22N4O2 — CID 175487045

IUPAC6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C16H22N4O2/c1-20-6-4-11(5-7-20)19-16-12-8-14(21-2)15(22-3)9-13(12)17-10-18-16/h8-11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyVAYKVHLGHWUFCO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.15
Rot. Bonds4

About 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 175487045) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
PubChem CID175487045
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C16H22N4O2/c1-20-6-4-11(5-7-20)19-16-12-8-14(21-2)15(22-3)9-13(12)17-10-18-16/h8-11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyVAYKVHLGHWUFCO-UHFFFAOYSA-N
XLogP2.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(4-pyrrolidin-1-ylbut-1-ynyl)quinazolin-4-amine
CID 162761768
6-methoxy-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2-carbonitrile
CID 177378118
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
7-[[3-(amino-ethylidene-oxo-λ6-sulfanyl)phenyl]methoxy]-N-cyclopropyl-6-methoxyquinazolin-4-amine
CID 91567277

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (CID 175487045) is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is COc1cc2ncnc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is VAYKVHLGHWUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20-6-4-11(5-7-20)19-16-12-8-14(21-2)15(22-3)9-13(12)17-10-18-16/h8-11H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 175487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).