6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine

C20H22N4O2 — CID 133299996

IUPAC6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4ccccc4)C3)nc(N)c2cc1OC
InChIInChI=1S/C20H22N4O2/c1-25-17-10-15-16(11-18(17)26-2)22-20(23-19(15)21)24-9-8-14(12-24)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H2,21,22,23)
InChIKeyNHBMHRLXZBUFDD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds4

About 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine

6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine (PubChem CID 133299996) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
PubChem CID133299996
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(c4ccccc4)C3)nc(N)c2cc1OC
InChIInChI=1S/C20H22N4O2/c1-25-17-10-15-16(11-18(17)26-2)22-20(23-19(15)21)24-9-8-14(12-24)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H2,21,22,23)
InChIKeyNHBMHRLXZBUFDD-UHFFFAOYSA-N
XLogP3.22
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine
CID 155497694
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
CID 166190492
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
6,7-dimethoxy-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]quinazolin-4-amine
CID 97272016
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine (CID 133299996) is 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCC(c4ccccc4)C3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine?
The InChIKey is NHBMHRLXZBUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-17-10-15-16(11-18(17)26-2)22-20(23-19(15)21)24-9-8-14(12-24)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine?
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 133299996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).