1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea

C19H19N5O — CID 10616645

IUPAC1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
InChIKeyLKWPRFRRSKUORS-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.87
Rot. Bonds3

About 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea

1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea (PubChem CID 10616645) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea
PubChem CID10616645
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
InChIKeyLKWPRFRRSKUORS-UHFFFAOYSA-N
XLogP3.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea (CID 10616645) is 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea is O=C(Nc1ccccc1)Nc1nc(N2CCCC2)nc2ccccc12.
What is the InChIKey of 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea?
The InChIKey is LKWPRFRRSKUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25).
What are the key properties of 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea?
1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea has a molecular weight of 333.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyrrolidin-1-ylquinazolin-4-yl)urea is sourced from PubChem (CID 10616645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).