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

C27H36N6O3 — CID 138594393

IUPAC3-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
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(c1)NCC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C27H36N6O3/c34-24(7-10-32-13-15-36-16-14-32)29-19-5-6-21-23(17-19)28-18-27(21)8-11-33(12-9-27)26-30-22-4-2-1-3-20(22)25(35)31-26/h5-6,17,28H,1-4,7-16,18H2,(H,29,34)(H,30,31,35)
InChIKeyZDPQDJSEFAAESH-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.27
Rot. Bonds5

About 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

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 (PubChem CID 138594393) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID138594393
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name3-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
SMILESO=C(CCN1CCOCC1)Nc1ccc2c(c1)NCC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C27H36N6O3/c34-24(7-10-32-13-15-36-16-14-32)29-19-5-6-21-23(17-19)28-18-27(21)8-11-33(12-9-27)26-30-22-4-2-1-3-20(22)25(35)31-26/h5-6,17,28H,1-4,7-16,18H2,(H,29,34)(H,30,31,35)
InChIKeyZDPQDJSEFAAESH-UHFFFAOYSA-N
XLogP2.27
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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
tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 162172614
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535
2-(7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594229
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
2-(2-morpholin-4-ylethylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136685455
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898059
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158166051
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCN1CCOCC1)Nc1ccc2c(c1)NCC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 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?
The InChIKey is ZDPQDJSEFAAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c34-24(7-10-32-13-15-36-16-14-32)29-19-5-6-21-23(17-19)28-18-27(21)8-11-33(12-9-27)26-30-22-4-2-1-3-20(22)25(35)31-26/h5-6,17,28H,1-4,7-16,18H2,(H,29,34)(H,30,31,35).
What are the key properties of 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?
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 has a molecular weight of 492.62 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138594393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).