2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol

C19H19N3O2 — CID 934651

IUPAC2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
SMILESCOc1cccc(-c2nc(N3CCCC3)c3ccccc3n2)c1O
InChIInChI=1S/C19H19N3O2/c1-24-16-10-6-8-14(17(16)23)18-20-15-9-3-2-7-13(15)19(21-18)22-11-4-5-12-22/h2-3,6-10,23H,4-5,11-12H2,1H3
InChIKeyWYHJQIBTWZCYDU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.61
Rot. Bonds3

About 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol

2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol (PubChem CID 934651) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
PubChem CID934651
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
SMILESCOc1cccc(-c2nc(N3CCCC3)c3ccccc3n2)c1O
InChIInChI=1S/C19H19N3O2/c1-24-16-10-6-8-14(17(16)23)18-20-15-9-3-2-7-13(15)19(21-18)22-11-4-5-12-22/h2-3,6-10,23H,4-5,11-12H2,1H3
InChIKeyWYHJQIBTWZCYDU-UHFFFAOYSA-N
XLogP3.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
Cct-241533
CID 135564841
Whi-p131
CID 3794
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-methylphenol
CID 10425574
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
4-(Benzylamino)-7-methoxyquinazolin-6-ol
CID 5328037
6,7-Dimethoxy-N-methyl-N-phenylquinazolin-4-amine
CID 9882621
6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 142432918
2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11208709
2-[1-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol
CID 14022381
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The IUPAC name of 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol (CID 934651) is 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol.
What is the SMILES notation for 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The canonical SMILES for 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol is COc1cccc(-c2nc(N3CCCC3)c3ccccc3n2)c1O.
What is the InChIKey of 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The InChIKey is WYHJQIBTWZCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-16-10-6-8-14(17(16)23)18-20-15-9-3-2-7-13(15)19(21-18)22-11-4-5-12-22/h2-3,6-10,23H,4-5,11-12H2,1H3.
What are the key properties of 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol has a molecular weight of 321.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol is sourced from PubChem (CID 934651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).