8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid

C24H21N5O3 — CID 68937158

IUPAC8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
SMILESCCC(=O)O.O=c1[nH]c2ccc(-c3ccnc(Nc4ccccc4)n3)cc2c2cc[nH]c12
InChIInChI=1S/C21H15N5O.C3H6O2/c27-20-19-15(8-10-22-19)16-12-13(6-7-18(16)25-20)17-9-11-23-21(26-17)24-14-4-2-1-3-5-14;1-2-3(4)5/h1-12,22H,(H,25,27)(H,23,24,26);2H2,1H3,(H,4,5)
InChIKeyBIHFHHNMAFLYGQ-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.69
Rot. Bonds4

About 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid

8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid (PubChem CID 68937158) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid.

Molecular Properties

Compound Name8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
PubChem CID68937158
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
SMILESCCC(=O)O.O=c1[nH]c2ccc(-c3ccnc(Nc4ccccc4)n3)cc2c2cc[nH]c12
InChIInChI=1S/C21H15N5O.C3H6O2/c27-20-19-15(8-10-22-19)16-12-13(6-7-18(16)25-20)17-9-11-23-21(26-17)24-14-4-2-1-3-5-14;1-2-3(4)5/h1-12,22H,(H,25,27)(H,23,24,26);2H2,1H3,(H,4,5)
InChIKeyBIHFHHNMAFLYGQ-UHFFFAOYSA-N
XLogP4.69
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68935708
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
8-benzylsulfanyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoate
CID 86627549
8-[2-(phenylsulfanylmethyl)-1,3-thiazol-4-yl]-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68936381
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
5-(2-anilinopyrimidin-4-yl)-N-benzyl-2-methylbenzamide
CID 10023555
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
CID 59588134
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
CID 155412429
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970500

Frequently Asked Questions

What is the IUPAC name of 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The IUPAC name of 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid (CID 68937158) is 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid.
What is the SMILES notation for 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The canonical SMILES for 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid is CCC(=O)O.O=c1[nH]c2ccc(-c3ccnc(Nc4ccccc4)n3)cc2c2cc[nH]c12.
What is the InChIKey of 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The InChIKey is BIHFHHNMAFLYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O.C3H6O2/c27-20-19-15(8-10-22-19)16-12-13(6-7-18(16)25-20)17-9-11-23-21(26-17)24-14-4-2-1-3-5-14;1-2-3(4)5/h1-12,22H,(H,25,27)(H,23,24,26);2H2,1H3,(H,4,5).
What are the key properties of 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid has a molecular weight of 427.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-anilinopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid is sourced from PubChem (CID 68937158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).