1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one

C26H33N5O3 — CID 18540724

IUPAC1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)(c2ccccc2)CC1
InChIInChI=1S/C26H33N5O3/c1-5-23(32)31-13-11-26(12-14-31,18-9-7-6-8-10-18)17-30(2)25-28-20-16-22(34-4)21(33-3)15-19(20)24(27)29-25/h6-10,15-16H,5,11-14,17H2,1-4H3,(H2,27,28,29)
InChIKeyHYJKFUCQIIBAEO-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.64
Rot. Bonds7

About 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one

1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one (PubChem CID 18540724) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
PubChem CID18540724
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)(c2ccccc2)CC1
InChIInChI=1S/C26H33N5O3/c1-5-23(32)31-13-11-26(12-14-31,18-9-7-6-8-10-18)17-30(2)25-28-20-16-22(34-4)21(33-3)15-19(20)24(27)29-25/h6-10,15-16H,5,11-14,17H2,1-4H3,(H2,27,28,29)
InChIKeyHYJKFUCQIIBAEO-UHFFFAOYSA-N
XLogP3.64
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

carbamoyl 4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidine-1-carboxylate
CID 91254220
1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 18540763
[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
CID 18540710
4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 18540734
6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 11486612
2-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]-3-hydroxypropanal
CID 175236746
2-N-[[1-[(2,4-dimethylphenyl)methyl]-4-phenylpiperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91206970
2-N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91225306
2-amino-1-[4-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-(1H-pyrrol-2-yl)ethyl]-4-phenylpiperidin-1-yl]ethanone
CID 90899359
3-amino-1-[4-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-(1H-pyrrol-2-yl)ethyl]-4-phenylpiperidin-1-yl]-3-methylbutan-1-one
CID 91522551
3-amino-1-[4-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-(1H-pyrrol-2-yl)ethyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 90992139
1-[4-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-(1H-pyrrol-2-yl)ethyl]-4-phenylpiperidin-1-yl]-3-hydroxypropan-1-one
CID 90966923

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one (CID 18540724) is 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one?
The InChIKey is HYJKFUCQIIBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-5-23(32)31-13-11-26(12-14-31,18-9-7-6-8-10-18)17-30(2)25-28-20-16-22(34-4)21(33-3)15-19(20)24(27)29-25/h6-10,15-16H,5,11-14,17H2,1-4H3,(H2,27,28,29).
What are the key properties of 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one?
1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one has a molecular weight of 463.58 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 18540724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).