7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide

C28H36N6O4 — CID 138594652

IUPAC7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)ccc2c1NC(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C28H36N6O4/c1-18-19(24(35)29-10-13-33-14-16-38-17-15-33)6-7-21-23(18)31-26(37)28(21)8-11-34(12-9-28)27-30-22-5-3-2-4-20(22)25(36)32-27/h6-7H,2-5,8-17H2,1H3,(H,29,35)(H,31,37)(H,30,32,36)
InChIKeyWYYFRQNKWWOFLL-UHFFFAOYSA-N
MW520.63 g/mol
LogP1.51
Rot. Bonds5

About 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide

7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide (PubChem CID 138594652) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide
PubChem CID138594652
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC Name7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)ccc2c1NC(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C28H36N6O4/c1-18-19(24(35)29-10-13-33-14-16-38-17-15-33)6-7-21-23(18)31-26(37)28(21)8-11-34(12-9-28)27-30-22-5-3-2-4-20(22)25(36)32-27/h6-7H,2-5,8-17H2,1H3,(H,29,35)(H,31,37)(H,30,32,36)
InChIKeyWYYFRQNKWWOFLL-UHFFFAOYSA-N
XLogP1.51
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide with MolForge

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Related Compounds

1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-N-(2-piperidin-1-ylethyl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594262
3-morpholin-4-yl-N-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-6-yl]propanamide
CID 138594393
N-[2-(dimethylamino)ethyl]-1-methyl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594711
2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 146592303
N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240025
N-[2-[4,6-difluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
CID 138595170
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-1-(3-piperidin-1-ylpropyl)spiro[2H-indole-3,4'-piperidine]-6-carboxamide
CID 138594696
N-(2-morpholin-4-ylethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-4-carboxamide
CID 138594447
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
4,6-dichloro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 138594631
N-[2-oxo-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethyl]acetamide
CID 146648282
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide (CID 138594652) is 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)ccc2c1NC(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide?
The InChIKey is WYYFRQNKWWOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-18-19(24(35)29-10-13-33-14-16-38-17-15-33)6-7-21-23(18)31-26(37)28(21)8-11-34(12-9-28)27-30-22-5-3-2-4-20(22)25(36)32-27/h6-7H,2-5,8-17H2,1H3,(H,29,35)(H,31,37)(H,30,32,36).
What are the key properties of 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide?
7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1H-indole-3,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 138594652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).