N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide

C29H31N5O4 — CID 91072144

IUPACN-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide
SMILESCOC(C)COc1ccc2c(N3CCN(NC(=O)c4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1
InChIInChI=1S/C29H31N5O4/c1-21(36-2)19-37-25-12-13-26-27(18-25)30-20-31-28(26)33-14-16-34(17-15-33)32-29(35)22-8-10-24(11-9-22)38-23-6-4-3-5-7-23/h3-13,18,20-21H,14-17,19H2,1-2H3,(H,32,35)
InChIKeyFZDIJTLCFCWWDW-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.30
Rot. Bonds9

About N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide

N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide (PubChem CID 91072144) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide
PubChem CID91072144
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC NameN-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide
SMILESCOC(C)COc1ccc2c(N3CCN(NC(=O)c4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1
InChIInChI=1S/C29H31N5O4/c1-21(36-2)19-37-25-12-13-26-27(18-25)30-20-31-28(26)33-14-16-34(17-15-33)32-29(35)22-8-10-24(11-9-22)38-23-6-4-3-5-7-23/h3-13,18,20-21H,14-17,19H2,1-2H3,(H,32,35)
InChIKeyFZDIJTLCFCWWDW-UHFFFAOYSA-N
XLogP4.30
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-phenoxyphenyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707669
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide
CID 91607619
2-[1-[7-(2-methylpropoxy)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468207
4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11353568
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413
N-[(2S)-1-(dimethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-(4-methylpiperazin-1-yl)quinazoline-7-carboxamide
CID 140620780
N-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-4-phenylbenzamide
CID 91352526
methyl 4-thiomorpholin-4-ylquinazoline-7-carboxylate
CID 59625692
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-naphthalen-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281714

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide (CID 91072144) is N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide is COC(C)COc1ccc2c(N3CCN(NC(=O)c4ccc(Oc5ccccc5)cc4)CC3)ncnc2c1.
What is the InChIKey of N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide?
The InChIKey is FZDIJTLCFCWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-21(36-2)19-37-25-12-13-26-27(18-25)30-20-31-28(26)33-14-16-34(17-15-33)32-29(35)22-8-10-24(11-9-22)38-23-6-4-3-5-7-23/h3-13,18,20-21H,14-17,19H2,1-2H3,(H,32,35).
What are the key properties of N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide?
N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide has a molecular weight of 513.60 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide is sourced from PubChem (CID 91072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).