ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine

C28H39N7O3 — CID 142498191

IUPACethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
SMILESCC.CCN.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4ccccc34)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N6O3.C2H7N.C2H6/c1-31-19-12-16(13-20(32-2)22(19)33-3)30-14-21(25-15-30)27-23-17-8-4-5-9-18(17)26-24(28-23)29-10-6-7-11-29;1-2-3;1-2/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,26,27,28);2-3H2,1H3;1-2H3
InChIKeyBZXZLNKSJXPOHJ-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.18
Rot. Bonds7

About ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine

ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine (PubChem CID 142498191) has the molecular formula C28H39N7O3 and a molecular weight of 521.67 g/mol. Its IUPAC name is ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Nameethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
PubChem CID142498191
Molecular FormulaC28H39N7O3
Molecular Weight521.67 g/mol
Exact Mass521.31
IUPAC Nameethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
SMILESCC.CCN.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4ccccc34)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N6O3.C2H7N.C2H6/c1-31-19-12-16(13-20(32-2)22(19)33-3)30-14-21(25-15-30)27-23-17-8-4-5-9-18(17)26-24(28-23)29-10-6-7-11-29;1-2-3;1-2/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,26,27,28);2-3H2,1H3;1-2H3
InChIKeyBZXZLNKSJXPOHJ-UHFFFAOYSA-N
XLogP5.18
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 142498134
2-pyrrolidin-1-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 175336240
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazoline-7-carbonitrile
CID 137363652
[(2R)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 137363589
[1-[7-propan-2-yloxy-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 137363638
(2S)-1-[7-propan-2-yloxy-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide
CID 142498651
4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 137363237
(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 137363515
(2R)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]furo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 142498497
4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
CID 59213363
(2S)-1-[6-(pyrrolidin-1-ylmethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 142498580
(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 137363632

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The IUPAC name of ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine (CID 142498191) is ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine.
What is the SMILES notation for ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The canonical SMILES for ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine is CC.CCN.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4ccccc34)c2)cc(OC)c1OC.
What is the InChIKey of ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The InChIKey is BZXZLNKSJXPOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3.C2H7N.C2H6/c1-31-19-12-16(13-20(32-2)22(19)33-3)30-14-21(25-15-30)27-23-17-8-4-5-9-18(17)26-24(28-23)29-10-6-7-11-29;1-2-3;1-2/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,26,27,28);2-3H2,1H3;1-2H3.
What are the key properties of ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine has a molecular weight of 521.67 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine is sourced from PubChem (CID 142498191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).