(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C19H29N5O — CID 95294039

IUPAC(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H29N5O/c1-12(2)18-14(19(23(3)4)24(5)22-18)11-20-15-7-6-8-16-13(15)9-10-17(25)21-16/h9-10,12,15,20H,6-8,11H2,1-5H3,(H,21,25)/t15-/m1/s1
InChIKeyWCGBCWMPFUMLQI-OAHLLOKOSA-N
MW343.48 g/mol
LogP2.46
Rot. Bonds5

About (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 95294039) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID95294039
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H29N5O/c1-12(2)18-14(19(23(3)4)24(5)22-18)11-20-15-7-6-8-16-13(15)9-10-17(25)21-16/h9-10,12,15,20H,6-8,11H2,1-5H3,(H,21,25)/t15-/m1/s1
InChIKeyWCGBCWMPFUMLQI-OAHLLOKOSA-N
XLogP2.46
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 95294039) is (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is WCGBCWMPFUMLQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O/c1-12(2)18-14(19(23(3)4)24(5)22-18)11-20-15-7-6-8-16-13(15)9-10-17(25)21-16/h9-10,12,15,20H,6-8,11H2,1-5H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 343.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 95294039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).