2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline

C27H21Cl2N3O3 — CID 91376472

IUPAC2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline
SMILESCOc1cc2cc3c(-c4c(Cl)c(N)cc(OC)c4Cl)ncnc3cc2cc1OCc1ccccc1
InChIInChI=1S/C27H21Cl2N3O3/c1-33-21-10-16-8-18-20(9-17(16)11-22(21)35-13-15-6-4-3-5-7-15)31-14-32-27(18)24-25(28)19(30)12-23(34-2)26(24)29/h3-12,14H,13,30H2,1-2H3
InChIKeyDRWLLGIGEIDZOW-UHFFFAOYSA-N
MW506.39 g/mol
LogP6.94
Rot. Bonds6

About 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline

2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline (PubChem CID 91376472) has the molecular formula C27H21Cl2N3O3 and a molecular weight of 506.39 g/mol. Its IUPAC name is 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline.

Molecular Properties

Compound Name2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline
PubChem CID91376472
Molecular FormulaC27H21Cl2N3O3
Molecular Weight506.39 g/mol
Exact Mass505.10
IUPAC Name2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline
SMILESCOc1cc2cc3c(-c4c(Cl)c(N)cc(OC)c4Cl)ncnc3cc2cc1OCc1ccccc1
InChIInChI=1S/C27H21Cl2N3O3/c1-33-21-10-16-8-18-20(9-17(16)11-22(21)35-13-15-6-4-3-5-7-15)31-14-32-27(18)24-25(28)19(30)12-23(34-2)26(24)29/h3-12,14H,13,30H2,1-2H3
InChIKeyDRWLLGIGEIDZOW-UHFFFAOYSA-N
XLogP6.94
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.39
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
CID 66880803
3-methoxy-4-phenylmethoxyaniline
CID 27226
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
2-(2-phenylmethoxyphenyl)quinolin-4-amine
CID 175090092

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline?
The IUPAC name of 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline (CID 91376472) is 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline.
What is the SMILES notation for 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline?
The canonical SMILES for 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline is COc1cc2cc3c(-c4c(Cl)c(N)cc(OC)c4Cl)ncnc3cc2cc1OCc1ccccc1.
What is the InChIKey of 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline?
The InChIKey is DRWLLGIGEIDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N3O3/c1-33-21-10-16-8-18-20(9-17(16)11-22(21)35-13-15-6-4-3-5-7-15)31-14-32-27(18)24-25(28)19(30)12-23(34-2)26(24)29/h3-12,14H,13,30H2,1-2H3.
What are the key properties of 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline?
2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline has a molecular weight of 506.39 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methoxy-3-(7-methoxy-8-phenylmethoxybenzo[g]quinazolin-4-yl)aniline is sourced from PubChem (CID 91376472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).