N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide

C31H35FN4O5 — CID 158128099

IUPACN-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCCC(CC(=O)c4ccc5c(c4)CCO5)C3)c(F)cc21
InChIInChI=1S/C31H35FN4O5/c1-18(2)36-26-15-24(32)25(14-23(26)29(38)35(31(36)40)17-19-5-6-19)33-30(39)34-10-3-4-20(16-34)12-27(37)21-7-8-28-22(13-21)9-11-41-28/h7-8,13-15,18-20H,3-6,9-12,16-17H2,1-2H3,(H,33,39)
InChIKeyFSKYNBGFTINNKU-UHFFFAOYSA-N
MW562.64 g/mol
LogP4.74
Rot. Bonds7

About N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide

N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 158128099) has the molecular formula C31H35FN4O5 and a molecular weight of 562.64 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide
PubChem CID158128099
Molecular FormulaC31H35FN4O5
Molecular Weight562.64 g/mol
Exact Mass562.26
IUPAC NameN-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCCC(CC(=O)c4ccc5c(c4)CCO5)C3)c(F)cc21
InChIInChI=1S/C31H35FN4O5/c1-18(2)36-26-15-24(32)25(14-23(26)29(38)35(31(36)40)17-19-5-6-19)33-30(39)34-10-3-4-20(16-34)12-27(37)21-7-8-28-22(13-21)9-11-41-28/h7-8,13-15,18-20H,3-6,9-12,16-17H2,1-2H3,(H,33,39)
InChIKeyFSKYNBGFTINNKU-UHFFFAOYSA-N
XLogP4.74
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide (CID 158128099) is N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide is CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCCC(CC(=O)c4ccc5c(c4)CCO5)C3)c(F)cc21.
What is the InChIKey of N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is FSKYNBGFTINNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O5/c1-18(2)36-26-15-24(32)25(14-23(26)29(38)35(31(36)40)17-19-5-6-19)33-30(39)34-10-3-4-20(16-34)12-27(37)21-7-8-28-22(13-21)9-11-41-28/h7-8,13-15,18-20H,3-6,9-12,16-17H2,1-2H3,(H,33,39).
What are the key properties of N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide?
N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 562.64 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 158128099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).