butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane

C34H47N3O — CID 142127606

IUPACbutane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane
SMILESC=C(Nc1nc(-c2ccccc2COC)nc2ccccc12)c1ccccc1C.CC.CCC.CCCC
InChIInChI=1S/C25H23N3O.C4H10.C3H8.C2H6/c1-17-10-4-6-12-20(17)18(2)26-25-22-14-8-9-15-23(22)27-24(28-25)21-13-7-5-11-19(21)16-29-3;1-3-4-2;1-3-2;1-2/h4-15H,2,16H2,1,3H3,(H,26,27,28);3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOJHBMFLWUAAHBH-UHFFFAOYSA-N
MW513.77 g/mol
LogP10.08
Rot. Bonds7

About butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane

butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane (PubChem CID 142127606) has the molecular formula C34H47N3O and a molecular weight of 513.77 g/mol. Its IUPAC name is butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane.

Molecular Properties

Compound Namebutane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane
PubChem CID142127606
Molecular FormulaC34H47N3O
Molecular Weight513.77 g/mol
Exact Mass513.37
IUPAC Namebutane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane
SMILESC=C(Nc1nc(-c2ccccc2COC)nc2ccccc12)c1ccccc1C.CC.CCC.CCCC
InChIInChI=1S/C25H23N3O.C4H10.C3H8.C2H6/c1-17-10-4-6-12-20(17)18(2)26-25-22-14-8-9-15-23(22)27-24(28-25)21-13-7-5-11-19(21)16-29-3;1-3-4-2;1-3-2;1-2/h4-15H,2,16H2,1,3H3,(H,26,27,28);3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOJHBMFLWUAAHBH-UHFFFAOYSA-N
XLogP10.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.77
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-2-N-[2-(2-methylphenyl)quinazolin-4-yl]-4-N-propylpenta-1,3-diene-2,4-diamine
CID 142128440
(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine
CID 142126644
2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine
CID 142127288
N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-(2-propan-2-ylphenyl)quinazolin-4-amine
CID 142127006
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane
CID 142125552
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
CID 3233234
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66301614
2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
CID 142126017

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane?
The IUPAC name of butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane (CID 142127606) is butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane.
What is the SMILES notation for butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane?
The canonical SMILES for butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane is C=C(Nc1nc(-c2ccccc2COC)nc2ccccc12)c1ccccc1C.CC.CCC.CCCC.
What is the InChIKey of butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane?
The InChIKey is OJHBMFLWUAAHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O.C4H10.C3H8.C2H6/c1-17-10-4-6-12-20(17)18(2)26-25-22-14-8-9-15-23(22)27-24(28-25)21-13-7-5-11-19(21)16-29-3;1-3-4-2;1-3-2;1-2/h4-15H,2,16H2,1,3H3,(H,26,27,28);3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane?
butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane has a molecular weight of 513.77 g/mol, XLogP of 10.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-[2-(methoxymethyl)phenyl]-N-[1-(2-methylphenyl)ethenyl]quinazolin-4-amine;propane is sourced from PubChem (CID 142127606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).