2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C23H29N5O2 — CID 92638417

IUPAC2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C23H29N5O2/c1-15(2)24-23(29)19-11-21(25-20-8-6-5-7-18(19)20)22-14-28(9-10-30-22)13-17-12-27(4)26-16(17)3/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,24,29)/t22-/m1/s1
InChIKeyVRZDLFLGLCIEMG-JOCHJYFZSA-N
MW407.52 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92638417) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92638417
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1
InChIInChI=1S/C23H29N5O2/c1-15(2)24-23(29)19-11-21(25-20-8-6-5-7-18(19)20)22-14-28(9-10-30-22)13-17-12-27(4)26-16(17)3/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,24,29)/t22-/m1/s1
InChIKeyVRZDLFLGLCIEMG-JOCHJYFZSA-N
XLogP2.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92638417) is 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is Cc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1.
What is the InChIKey of 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is VRZDLFLGLCIEMG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)24-23(29)19-11-21(25-20-8-6-5-7-18(19)20)22-14-28(9-10-30-22)13-17-12-27(4)26-16(17)3/h5-8,11-12,15,22H,9-10,13-14H2,1-4H3,(H,24,29)/t22-/m1/s1.
What are the key properties of 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92638417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).