1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol

C14H17N3O — CID 127030955

IUPAC1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol
SMILESCN1Cc2cc(O)ccc2N(C)C1c1cc[nH]c1
InChIInChI=1S/C14H17N3O/c1-16-9-11-7-12(18)3-4-13(11)17(2)14(16)10-5-6-15-8-10/h3-8,14-15,18H,9H2,1-2H3
InChIKeyVCQQBALKFNTEFM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds1

About 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol

1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol (PubChem CID 127030955) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol.

Molecular Properties

Compound Name1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol
PubChem CID127030955
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol
SMILESCN1Cc2cc(O)ccc2N(C)C1c1cc[nH]c1
InChIInChI=1S/C14H17N3O/c1-16-9-11-7-12(18)3-4-13(11)17(2)14(16)10-5-6-15-8-10/h3-8,14-15,18H,9H2,1-2H3
InChIKeyVCQQBALKFNTEFM-UHFFFAOYSA-N
XLogP2.30
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol?
The IUPAC name of 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol (CID 127030955) is 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol.
What is the SMILES notation for 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol?
The canonical SMILES for 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol is CN1Cc2cc(O)ccc2N(C)C1c1cc[nH]c1.
What is the InChIKey of 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol?
The InChIKey is VCQQBALKFNTEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-9-11-7-12(18)3-4-13(11)17(2)14(16)10-5-6-15-8-10/h3-8,14-15,18H,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol?
1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol has a molecular weight of 243.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(1H-pyrrol-3-yl)-2,4-dihydroquinazolin-6-ol is sourced from PubChem (CID 127030955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).