(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone

C17H21FN4O — CID 177207365

IUPAC(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone
SMILESNC1=Nc2c(F)cc(C(=O)N3CCCCC3)cc2C2CCCN12
InChIInChI=1S/C17H21FN4O/c18-13-10-11(16(23)21-6-2-1-3-7-21)9-12-14-5-4-8-22(14)17(19)20-15(12)13/h9-10,14H,1-8H2,(H2,19,20)
InChIKeyIIEUFKKIZJQZOV-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.55
Rot. Bonds1

About (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone

(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone (PubChem CID 177207365) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone
PubChem CID177207365
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone
SMILESNC1=Nc2c(F)cc(C(=O)N3CCCCC3)cc2C2CCCN12
InChIInChI=1S/C17H21FN4O/c18-13-10-11(16(23)21-6-2-1-3-7-21)9-12-14-5-4-8-22(14)17(19)20-15(12)13/h9-10,14H,1-8H2,(H2,19,20)
InChIKeyIIEUFKKIZJQZOV-UHFFFAOYSA-N
XLogP2.55
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200

Frequently Asked Questions

What is the IUPAC name of (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone (CID 177207365) is (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone is NC1=Nc2c(F)cc(C(=O)N3CCCCC3)cc2C2CCCN12.
What is the InChIKey of (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone?
The InChIKey is IIEUFKKIZJQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-13-10-11(16(23)21-6-2-1-3-7-21)9-12-14-5-4-8-22(14)17(19)20-15(12)13/h9-10,14H,1-8H2,(H2,19,20).
What are the key properties of (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone?
(5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone has a molecular weight of 316.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-7-fluoro-1,2,3,10b-tetrahydropyrrolo[1,2-c]quinazolin-9-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 177207365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).