N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide

C23H27N5O2 — CID 97117496

About N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide

N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide (PubChem CID 97117496) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 97117496
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide
• SMILES: CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1
• InChI: InChI=1S/C23H27N5O2/c1-23(2)12-19(26-21(29)18-11-15-5-3-4-6-17(15)25-18)16-14-24-22(27-20(16)13-23)28-7-9-30-10-8-28/h3-6,11,14,19,25H,7-10,12-13H2,1-2H3,(H,26,29)/t19-/m0/s1
• InChIKey: FRFPHUTUHUKQDM-IBGZPJMESA-N
• XLogP: 3.24
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide (CID 97117496) is N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide is CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1.

What is the InChIKey of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is FRFPHUTUHUKQDM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2)12-19(26-21(29)18-11-15-5-3-4-6-17(15)25-18)16-14-24-22(27-20(16)13-23)28-7-9-30-10-8-28/h3-6,11,14,19,25H,7-10,12-13H2,1-2H3,(H,26,29)/t19-/m0/s1.

What are the key properties of N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide?

N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 97117496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).