methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate

C32H38FN5O6 — CID 159152583

About methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate

methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate (PubChem CID 159152583) has the molecular formula C32H38FN5O6 and a molecular weight of 607.68 g/mol. Its IUPAC name is methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate
• PubChem CID: 159152583
• Molecular Formula: C32H38FN5O6
• Molecular Weight: 607.68 g/mol
• Exact Mass: 607.28
• IUPAC Name: methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate
• SMILES: COC(=O)NCc1ccc(C(=O)CC2CCCN(C(=O)Nc3cc4c(=O)n(CC5CC5)c(=O)n(C(C)C)c4cc3F)C2)cc1
• InChI: InChI=1S/C32H38FN5O6/c1-19(2)38-27-15-25(33)26(14-24(27)29(40)37(32(38)43)18-21-6-7-21)35-30(41)36-12-4-5-22(17-36)13-28(39)23-10-8-20(9-11-23)16-34-31(42)44-3/h8-11,14-15,19,21-22H,4-7,12-13,16-18H2,1-3H3,(H,34,42)(H,35,41)
• InChIKey: KJMJNTMPOPBRMW-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 131.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.68
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate?

The IUPAC name of methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate (CID 159152583) is methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate.

What is the SMILES notation for methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate?

The canonical SMILES for methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate is COC(=O)NCc1ccc(C(=O)CC2CCCN(C(=O)Nc3cc4c(=O)n(CC5CC5)c(=O)n(C(C)C)c4cc3F)C2)cc1.

What is the InChIKey of methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate?

The InChIKey is KJMJNTMPOPBRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN5O6/c1-19(2)38-27-15-25(33)26(14-24(27)29(40)37(32(38)43)18-21-6-7-21)35-30(41)36-12-4-5-22(17-36)13-28(39)23-10-8-20(9-11-23)16-34-31(42)44-3/h8-11,14-15,19,21-22H,4-7,12-13,16-18H2,1-3H3,(H,34,42)(H,35,41).

What are the key properties of methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate?

methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate has a molecular weight of 607.68 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[4-[2-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]acetyl]phenyl]methyl]carbamate is sourced from PubChem (CID 159152583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).