N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

C23H21N5O — CID 58478364

IUPACN-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESCOc1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1
InChIInChI=1S/C23H21N5O/c1-29-19-7-4-5-16(9-19)12-28-13-20-22(14-28)25-15-26-23(20)27-18-10-17-6-2-3-8-21(17)24-11-18/h2-11,15H,12-14H2,1H3,(H,25,26,27)
InChIKeyGQGKAYQOCFXYLK-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.29
Rot. Bonds5

About N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (PubChem CID 58478364) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
PubChem CID58478364
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESCOc1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1
InChIInChI=1S/C23H21N5O/c1-29-19-7-4-5-16(9-19)12-28-13-20-22(14-28)25-15-26-23(20)27-18-10-17-6-2-3-8-21(17)24-11-18/h2-11,15H,12-14H2,1H3,(H,25,26,27)
InChIKeyGQGKAYQOCFXYLK-UHFFFAOYSA-N
XLogP4.29
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine with MolForge

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Related Compounds

N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 46196579
N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 58478372
N-[6-(cyclopentylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 46213406
N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 58478363
N-[6-(oxolan-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 58478387
6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42644799
N-(6-pentan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
CID 91264858
N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(quinolin-3-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 46213030
N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960513
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42645484
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
CID 38938953

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (CID 58478364) is N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is COc1cccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)c1.
What is the InChIKey of N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is GQGKAYQOCFXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-29-19-7-4-5-16(9-19)12-28-13-20-22(14-28)25-15-26-23(20)27-18-10-17-6-2-3-8-21(17)24-11-18/h2-11,15H,12-14H2,1H3,(H,25,26,27).
What are the key properties of N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 383.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 58478364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).