2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

C18H20F3N5O — CID 52943453

IUPAC2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESNC(=O)c1cn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)9-26-8-13(16(22)27)12-6-5-10-7-23-17(25-14(10)15(12)26)24-11-3-1-2-4-11/h7-8,11H,1-6,9H2,(H2,22,27)(H,23,24,25)
InChIKeyALWICLGIEFINRR-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.06
Rot. Bonds4

About 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (PubChem CID 52943453) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
PubChem CID52943453
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESNC(=O)c1cn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)9-26-8-13(16(22)27)12-6-5-10-7-23-17(25-14(10)15(12)26)24-11-3-1-2-4-11/h7-8,11H,1-6,9H2,(H2,22,27)(H,23,24,25)
InChIKeyALWICLGIEFINRR-UHFFFAOYSA-N
XLogP3.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide with MolForge

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Related Compounds

8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 45139613
8-[(1-acetylpiperidin-4-yl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 45141161
2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
CID 52945349
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
1-methyl-8-[[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46233286
N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
CID 44555920
8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 68937942
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-[(4-hydroxycyclohexyl)amino]-8-(2,2,2-trifluoroethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 154348589
N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 67076080
methyl 2-[(3-carbamoyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-yl)amino]benzoate
CID 46887101
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (CID 52943453) is 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is NC(=O)c1cn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2.
What is the InChIKey of 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The InChIKey is ALWICLGIEFINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)9-26-8-13(16(22)27)12-6-5-10-7-23-17(25-14(10)15(12)26)24-11-3-1-2-4-11/h7-8,11H,1-6,9H2,(H2,22,27)(H,23,24,25).
What are the key properties of 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is sourced from PubChem (CID 52943453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).