4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine

C29H35N7O — CID 121396218

IUPAC4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCCC5)c12
InChIInChI=1S/C29H35N7O/c1-20-8-7-11-23-27(20)28(31-19-30-23)35-13-6-5-12-25(35)24-18-26-32-22-10-4-2-3-9-21(22)29(36(26)33-24)34-14-16-37-17-15-34/h7-8,11,18-19,25H,2-6,9-10,12-17H2,1H3
InChIKeyABNATYULULZMON-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.82
Rot. Bonds3

About 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine

4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine (PubChem CID 121396218) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine
PubChem CID121396218
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine
SMILESCc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCCC5)c12
InChIInChI=1S/C29H35N7O/c1-20-8-7-11-23-27(20)28(31-19-30-23)35-13-6-5-12-25(35)24-18-26-32-22-10-4-2-3-9-21(22)29(36(26)33-24)34-14-16-37-17-15-34/h7-8,11,18-19,25H,2-6,9-10,12-17H2,1H3
InChIKeyABNATYULULZMON-UHFFFAOYSA-N
XLogP4.82
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine with MolForge

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Related Compounds

4-[2-[1-(6-ethyl-5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
CID 121406410
N,N-dimethyl-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 121406397
4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 121396967
5-methyl-4-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidin-1-yl]quinazolin-2-amine
CID 121406400
N-[5-methyl-4-[2-(8-morpholin-4-yl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-5-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide
CID 121396204
tert-butyl 2-(2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;tert-butyl 2-(2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-11-yl)piperidine-1-carboxylate;4-chloro-5-methylquinazoline;cyclopentane;dichloromethane;11-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;oxolane;11-piperidin-2-yl-2-pyrrolidin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;tris[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane
CID 159376154
4-(2-piperidin-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 121406375
N-[4-[2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-5-methylquinazolin-2-yl]methanesulfonamide
CID 121396980
[5-methyl-2-(methylsulfonylmethyl)phenyl]-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]methanone
CID 159893021
1-[4-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]ethanone
CID 95798980
4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine;4-[5-(azetidin-1-yl)-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;4-chloro-5-(trifluoromethyl)quinazoline;2-methoxyethanol
CID 159548194
1-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperidin-4-ol
CID 1441698

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine?
The IUPAC name of 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine (CID 121396218) is 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine.
What is the SMILES notation for 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine?
The canonical SMILES for 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine is Cc1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCCC5)c12.
What is the InChIKey of 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine?
The InChIKey is ABNATYULULZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-20-8-7-11-23-27(20)28(31-19-30-23)35-13-6-5-12-25(35)24-18-26-32-22-10-4-2-3-9-21(22)29(36(26)33-24)34-14-16-37-17-15-34/h7-8,11,18-19,25H,2-6,9-10,12-17H2,1H3.
What are the key properties of 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine?
4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine has a molecular weight of 497.65 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl]morpholine is sourced from PubChem (CID 121396218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).