2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C20H24FN5O — CID 91786293

IUPAC2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCC3CCN(c4ccc(F)cc4)C3)n1)CCCC2
InChIInChI=1S/C20H24FN5O/c21-14-5-7-15(8-6-14)26-10-9-13(12-26)11-23-19(27)18-16-3-1-2-4-17(16)24-20(22)25-18/h5-8,13H,1-4,9-12H2,(H,23,27)(H2,22,24,25)
InChIKeySRDPGKGJCSJJFO-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 91786293) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID91786293
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCC3CCN(c4ccc(F)cc4)C3)n1)CCCC2
InChIInChI=1S/C20H24FN5O/c21-14-5-7-15(8-6-14)26-10-9-13(12-26)11-23-19(27)18-16-3-1-2-4-17(16)24-20(22)25-18/h5-8,13H,1-4,9-12H2,(H,23,27)(H2,22,24,25)
InChIKeySRDPGKGJCSJJFO-UHFFFAOYSA-N
XLogP2.33
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 91786293) is 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Nc1nc2c(c(C(=O)NCC3CCN(c4ccc(F)cc4)C3)n1)CCCC2.
What is the InChIKey of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is SRDPGKGJCSJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-14-5-7-15(8-6-14)26-10-9-13(12-26)11-23-19(27)18-16-3-1-2-4-17(16)24-20(22)25-18/h5-8,13H,1-4,9-12H2,(H,23,27)(H2,22,24,25).
What are the key properties of 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 91786293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).