1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine

C25H32N4O2 — CID 141280352

IUPAC1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(CN4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C25H32N4O2/c1-17(2)27-20-9-11-29(12-10-20)16-18-5-7-19(8-6-18)25-26-15-22-23(28-25)13-21(30-3)14-24(22)31-4/h5-8,13-15,17,20,27H,9-12,16H2,1-4H3
InChIKeyVAZRLGWAVYZWLU-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.28
Rot. Bonds7

About 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine

1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 141280352) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID141280352
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(CN4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C25H32N4O2/c1-17(2)27-20-9-11-29(12-10-20)16-18-5-7-19(8-6-18)25-26-15-22-23(28-25)13-21(30-3)14-24(22)31-4/h5-8,13-15,17,20,27H,9-12,16H2,1-4H3
InChIKeyVAZRLGWAVYZWLU-UHFFFAOYSA-N
XLogP4.28
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
CID 66744749
1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]azepan-4-amine
CID 74232657
2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol
CID 167847116
N-[1-[[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]piperidin-4-yl]-3-methylbutanamide
CID 174654241
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline
CID 90014426
N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-2-(4-methoxyphenyl)purin-6-amine
CID 117088891

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine (CID 141280352) is 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine is COc1cc(OC)c2cnc(-c3ccc(CN4CCC(NC(C)C)CC4)cc3)nc2c1.
What is the InChIKey of 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is VAZRLGWAVYZWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17(2)27-20-9-11-29(12-10-20)16-18-5-7-19(8-6-18)25-26-15-22-23(28-25)13-21(30-3)14-24(22)31-4/h5-8,13-15,17,20,27H,9-12,16H2,1-4H3.
What are the key properties of 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine?
1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 420.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 141280352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).