1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

C20H20N4O3 — CID 166318304

IUPAC1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCOc1ccnc(C2CCN(C(=O)COc3ncnc4ccccc34)C2)c1
InChIInChI=1S/C20H20N4O3/c1-26-15-6-8-21-18(10-15)14-7-9-24(11-14)19(25)12-27-20-16-4-2-3-5-17(16)22-13-23-20/h2-6,8,10,13-14H,7,9,11-12H2,1H3
InChIKeyUCULEGYSGMVFRY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 166318304) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID166318304
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCOc1ccnc(C2CCN(C(=O)COc3ncnc4ccccc34)C2)c1
InChIInChI=1S/C20H20N4O3/c1-26-15-6-8-21-18(10-15)14-7-9-24(11-14)19(25)12-27-20-16-4-2-3-5-17(16)22-13-23-20/h2-6,8,10,13-14H,7,9,11-12H2,1H3
InChIKeyUCULEGYSGMVFRY-UHFFFAOYSA-N
XLogP2.43
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 51500861
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45207609
1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 129454279
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 166318304) is 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is COc1ccnc(C2CCN(C(=O)COc3ncnc4ccccc34)C2)c1.
What is the InChIKey of 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is UCULEGYSGMVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-15-6-8-21-18(10-15)14-7-9-24(11-14)19(25)12-27-20-16-4-2-3-5-17(16)22-13-23-20/h2-6,8,10,13-14H,7,9,11-12H2,1H3.
What are the key properties of 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 364.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 166318304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).