1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol

C15H18ClN3O — CID 66822196

IUPAC1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1NCC1(O)CC1
InChIInChI=1S/C15H18ClN3O/c1-9(17)11-7-10-3-2-4-12(16)13(10)19-14(11)18-8-15(20)5-6-15/h2-4,7,9,20H,5-6,8,17H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyQJXJHNDFXGZZJR-VIFPVBQESA-N
MW291.78 g/mol
LogP2.84
Rot. Bonds4

About 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol

1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol (PubChem CID 66822196) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
PubChem CID66822196
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
SMILESC[C@H](N)c1cc2cccc(Cl)c2nc1NCC1(O)CC1
InChIInChI=1S/C15H18ClN3O/c1-9(17)11-7-10-3-2-4-12(16)13(10)19-14(11)18-8-15(20)5-6-15/h2-4,7,9,20H,5-6,8,17H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyQJXJHNDFXGZZJR-VIFPVBQESA-N
XLogP2.84
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol (CID 66822196) is 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol is C[C@H](N)c1cc2cccc(Cl)c2nc1NCC1(O)CC1.
What is the InChIKey of 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol?
The InChIKey is QJXJHNDFXGZZJR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(17)11-7-10-3-2-4-12(16)13(10)19-14(11)18-8-15(20)5-6-15/h2-4,7,9,20H,5-6,8,17H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol?
1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol is sourced from PubChem (CID 66822196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).