4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide

C19H18FN5O — CID 66715280

IUPAC4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC3CNCC3c3cccc(F)c3)ncnc12
InChIInChI=1S/C19H18FN5O/c20-12-4-1-3-11(7-12)15-8-22-9-16(15)25-19-14-6-2-5-13(18(21)26)17(14)23-10-24-19/h1-7,10,15-16,22H,8-9H2,(H2,21,26)(H,23,24,25)
InChIKeySSNXOPPAPGLLMA-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.04
Rot. Bonds4

About 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide

4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide (PubChem CID 66715280) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
PubChem CID66715280
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC3CNCC3c3cccc(F)c3)ncnc12
InChIInChI=1S/C19H18FN5O/c20-12-4-1-3-11(7-12)15-8-22-9-16(15)25-19-14-6-2-5-13(18(21)26)17(14)23-10-24-19/h1-7,10,15-16,22H,8-9H2,(H2,21,26)(H,23,24,25)
InChIKeySSNXOPPAPGLLMA-UHFFFAOYSA-N
XLogP2.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide (CID 66715280) is 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NC3CNCC3c3cccc(F)c3)ncnc12.
What is the InChIKey of 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide?
The InChIKey is SSNXOPPAPGLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-12-4-1-3-11(7-12)15-8-22-9-16(15)25-19-14-6-2-5-13(18(21)26)17(14)23-10-24-19/h1-7,10,15-16,22H,8-9H2,(H2,21,26)(H,23,24,25).
What are the key properties of 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide?
4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66715280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).