N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide

C16H18ClN3O — CID 119573656

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc2ccc(Cl)cc2n1)C1CC1
InChIInChI=1S/C16H18ClN3O/c1-16(9-18,11-4-5-11)20-15(21)13-7-3-10-2-6-12(17)8-14(10)19-13/h2-3,6-8,11H,4-5,9,18H2,1H3,(H,20,21)
InChIKeyYYRPEFXBBNSAOC-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.75
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide (PubChem CID 119573656) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
PubChem CID119573656
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc2ccc(Cl)cc2n1)C1CC1
InChIInChI=1S/C16H18ClN3O/c1-16(9-18,11-4-5-11)20-15(21)13-7-3-10-2-6-12(17)8-14(10)19-13/h2-3,6-8,11H,4-5,9,18H2,1H3,(H,20,21)
InChIKeyYYRPEFXBBNSAOC-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide (CID 119573656) is N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide is CC(CN)(NC(=O)c1ccc2ccc(Cl)cc2n1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide?
The InChIKey is YYRPEFXBBNSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(9-18,11-4-5-11)20-15(21)13-7-3-10-2-6-12(17)8-14(10)19-13/h2-3,6-8,11H,4-5,9,18H2,1H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide is sourced from PubChem (CID 119573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).