1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol

C20H21N3O2 — CID 18452845

IUPAC1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c2ccc(OCc3ccccc3)cc2n1
InChIInChI=1S/C20H21N3O2/c1-14-21-19-11-17(25-13-15-5-3-2-4-6-15)7-8-18(19)20(22-14)23-10-9-16(24)12-23/h2-8,11,16,24H,9-10,12-13H2,1H3
InChIKeyWOMZAVCITNVRQN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol

1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol (PubChem CID 18452845) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
PubChem CID18452845
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)c2ccc(OCc3ccccc3)cc2n1
InChIInChI=1S/C20H21N3O2/c1-14-21-19-11-17(25-13-15-5-3-2-4-6-15)7-8-18(19)20(22-14)23-10-9-16(24)12-23/h2-8,11,16,24H,9-10,12-13H2,1H3
InChIKeyWOMZAVCITNVRQN-UHFFFAOYSA-N
XLogP3.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol (CID 18452845) is 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)c2ccc(OCc3ccccc3)cc2n1.
What is the InChIKey of 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol?
The InChIKey is WOMZAVCITNVRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-21-19-11-17(25-13-15-5-3-2-4-6-15)7-8-18(19)20(22-14)23-10-9-16(24)12-23/h2-8,11,16,24H,9-10,12-13H2,1H3.
What are the key properties of 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol?
1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol has a molecular weight of 335.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 18452845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).