pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

C19H18N4O — CID 124950383

IUPACpyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1
InChIInChI=1S/C19H18N4O/c24-19(16-10-20-13-21-11-16)23-8-6-14(12-23)9-15-5-7-22-18-4-2-1-3-17(15)18/h1-5,7,10-11,13-14H,6,8-9,12H2/t14-/m1/s1
InChIKeyDBKYALWMRHJNRT-CQSZACIVSA-N
MW318.38 g/mol
LogP2.73
Rot. Bonds3

About pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 124950383) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID124950383
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1
InChIInChI=1S/C19H18N4O/c24-19(16-10-20-13-21-11-16)23-8-6-14(12-23)9-15-5-7-22-18-4-2-1-3-17(15)18/h1-5,7,10-11,13-14H,6,8-9,12H2/t14-/m1/s1
InChIKeyDBKYALWMRHJNRT-CQSZACIVSA-N
XLogP2.73
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 124950383) is pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cncnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1.
What is the InChIKey of pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DBKYALWMRHJNRT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(16-10-20-13-21-11-16)23-8-6-14(12-23)9-15-5-7-22-18-4-2-1-3-17(15)18/h1-5,7,10-11,13-14H,6,8-9,12H2/t14-/m1/s1.
What are the key properties of pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone?
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124950383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).