N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C18H31FN4O — CID 149101567

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC4CNCNC43)NC12
InChIInChI=1S/C18H31FN4O/c1-10-5-6-13(19)12-7-15(22-16(10)12)18(24)23-14-4-2-3-11-8-20-9-21-17(11)14/h10-17,20-22H,2-9H2,1H3,(H,23,24)
InChIKeyDBMDIAAFOGTEFY-UHFFFAOYSA-N
MW338.47 g/mol
LogP0.90
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 149101567) has the molecular formula C18H31FN4O and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID149101567
Molecular FormulaC18H31FN4O
Molecular Weight338.47 g/mol
Exact Mass338.25
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCC4CNCNC43)NC12
InChIInChI=1S/C18H31FN4O/c1-10-5-6-13(19)12-7-15(22-16(10)12)18(24)23-14-4-2-3-11-8-20-9-21-17(11)14/h10-17,20-22H,2-9H2,1H3,(H,23,24)
InChIKeyDBMDIAAFOGTEFY-UHFFFAOYSA-N
XLogP0.90
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 149101567) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3CCCC4CNCNC43)NC12.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is DBMDIAAFOGTEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4O/c1-10-5-6-13(19)12-7-15(22-16(10)12)18(24)23-14-4-2-3-11-8-20-9-21-17(11)14/h10-17,20-22H,2-9H2,1H3,(H,23,24).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-8-yl)-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 149101567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).