propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

C26H35N3O3 — CID 123333686

About propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 123333686) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
• PubChem CID: 123333686
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
• SMILES: CC(=O)N1c2ccc(-c3ccc(CNC(C)C)cc3)cc2C(NC(=O)OC(C)C)CC1C
• InChI: InChI=1S/C26H35N3O3/c1-16(2)27-15-20-7-9-21(10-8-20)22-11-12-25-23(14-22)24(28-26(31)32-17(3)4)13-18(5)29(25)19(6)30/h7-12,14,16-18,24,27H,13,15H2,1-6H3,(H,28,31)
• InChIKey: LCSVUKSDJGBHCV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?

The IUPAC name of propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 123333686) is propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate.

What is the SMILES notation for propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?

The canonical SMILES for propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ccc(CNC(C)C)cc3)cc2C(NC(=O)OC(C)C)CC1C.

What is the InChIKey of propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?

The InChIKey is LCSVUKSDJGBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-16(2)27-15-20-7-9-21(10-8-20)22-11-12-25-23(14-22)24(28-26(31)32-17(3)4)13-18(5)29(25)19(6)30/h7-12,14,16-18,24,27H,13,15H2,1-6H3,(H,28,31).

What are the key properties of propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?

propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 437.58 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 123333686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).