2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid

C19H21N3O5 — CID 154741565

About 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 154741565) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid
• PubChem CID: 154741565
• Molecular Formula: C19H21N3O5
• Molecular Weight: 371.39 g/mol
• Exact Mass: 371.15
• IUPAC Name: 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid
• SMILES: O=C(O)CC1(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CCOCC1
• InChI: InChI=1S/C19H21N3O5/c23-16(24)11-19(5-8-27-9-6-19)21-17(25)12-3-4-13-14(10-12)20-15-2-1-7-22(15)18(13)26/h3-4,10H,1-2,5-9,11H2,(H,21,25)(H,23,24)
• InChIKey: DIGSCUVVJFLSIA-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 110.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.39
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid?

The IUPAC name of 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid (CID 154741565) is 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid.

What is the SMILES notation for 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid?

The canonical SMILES for 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CCOCC1.

What is the InChIKey of 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid?

The InChIKey is DIGSCUVVJFLSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-16(24)11-19(5-8-27-9-6-19)21-17(25)12-3-4-13-14(10-12)20-15-2-1-7-22(15)18(13)26/h3-4,10H,1-2,5-9,11H2,(H,21,25)(H,23,24).

What are the key properties of 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid?

2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 371.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 154741565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).