4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

C28H38N6O2 — CID 58006234

IUPAC4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCC3CCCO3)nc3ccccc23)CC1
InChIInChI=1S/C28H38N6O2/c1-33(2)25-11-6-12-26(35-3)23(25)19-34-15-13-20(14-16-34)30-27-22-9-4-5-10-24(22)31-28(32-27)29-18-21-8-7-17-36-21/h4-6,9-12,20-21H,7-8,13-19H2,1-3H3,(H2,29,30,31,32)
InChIKeyBVJZNHZVZNQVAH-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.37
Rot. Bonds9

About 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 58006234) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID58006234
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCC3CCCO3)nc3ccccc23)CC1
InChIInChI=1S/C28H38N6O2/c1-33(2)25-11-6-12-26(35-3)23(25)19-34-15-13-20(14-16-34)30-27-22-9-4-5-10-24(22)31-28(32-27)29-18-21-8-7-17-36-21/h4-6,9-12,20-21H,7-8,13-19H2,1-3H3,(H2,29,30,31,32)
InChIKeyBVJZNHZVZNQVAH-UHFFFAOYSA-N
XLogP4.37
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)quinazoline-2,4-diamine
CID 58006191
4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(3-methanimidoylpentyl)quinazoline-2,4-diamine
CID 174630462
3-[[4-[[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]amino]-6,7-dimethylquinazolin-2-yl]amino]propan-1-ol
CID 143899313
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-(1H-1,2,4-triazol-5-ylmethyl)quinazoline-2,4-diamine
CID 58006242
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-N-[2-(4,5-dihydro-1,3-thiazol-2-yl)ethyl]-4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 70953469
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-2-N-[2-(1H-imidazol-5-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 58006172
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-4-N-[1-[[2-methoxy-6-(methylamino)phenyl]methyl]piperidin-4-yl]quinazoline-2,4-diamine
CID 143899310
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
2-N-[3-(dimethylamino)propyl]-4-N-[1-[(2-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]quinazoline-2,4-diamine
CID 58006247
N-[[4-[[[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide;methane
CID 160606134

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (CID 58006234) is 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is COc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCC3CCCO3)nc3ccccc23)CC1.
What is the InChIKey of 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is BVJZNHZVZNQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-33(2)25-11-6-12-26(35-3)23(25)19-34-15-13-20(14-16-34)30-27-22-9-4-5-10-24(22)31-28(32-27)29-18-21-8-7-17-36-21/h4-6,9-12,20-21H,7-8,13-19H2,1-3H3,(H2,29,30,31,32).
What are the key properties of 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 490.65 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 58006234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).