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

C24H30N4O2 — CID 66744749

IUPAC1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3
InChIKeyGQDKVVLPSGWIME-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds6

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

1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 66744749) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID66744749
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine
SMILESCOc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3
InChIKeyGQDKVVLPSGWIME-UHFFFAOYSA-N
XLogP4.28
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
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]methyl]-N-propan-2-ylpiperidin-4-amine
CID 141280352
1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine
CID 56705944
N-[1-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenyl]piperidin-4-yl]benzamide
CID 135939097
1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
CID 131948668
(2R)-2-imidazol-1-yl-N-[1-(4-methoxyphenyl)piperidin-4-yl]propanamide
CID 95291018
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
1-[8-(6-methoxypyridazin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-yl]-N-propan-2-ylpiperidin-4-amine
CID 167503356
6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
CID 73355398
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
1,3,6,8-tetramethoxyacridine
CID 175793272
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine (CID 66744749) is 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine is COc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1.
What is the InChIKey of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is GQDKVVLPSGWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)26-18-9-11-28(12-10-18)19-7-5-17(6-8-19)24-25-15-21-22(27-24)13-20(29-3)14-23(21)30-4/h5-8,13-16,18,26H,9-12H2,1-4H3.
What are the key properties of 1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine?
1-[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 4.28, 6 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]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 66744749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).