N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide

C21H23N5O2 — CID 92638356

IUPACN-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-14(2)24-20(27)16-12-18(25-17-7-4-3-6-15(16)17)19-13-26(10-11-28-19)21-22-8-5-9-23-21/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyVYTGMJWDSIQDDG-IBGZPJMESA-N
MW377.45 g/mol
LogP2.74
Rot. Bonds4

About N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide

N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638356) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638356
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-14(2)24-20(27)16-12-18(25-17-7-4-3-6-15(16)17)19-13-26(10-11-28-19)21-22-8-5-9-23-21/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyVYTGMJWDSIQDDG-IBGZPJMESA-N
XLogP2.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide (CID 92638356) is N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc12.
What is the InChIKey of N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is VYTGMJWDSIQDDG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(2)24-20(27)16-12-18(25-17-7-4-3-6-15(16)17)19-13-26(10-11-28-19)21-22-8-5-9-23-21/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide?
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).