N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide

C32H32FN5O2 — CID 143748772

IUPACN,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C)c4)c3c2)c1
InChIInChI=1S/C32H32FN5O2/c1-4-38(5-2)31(39)19-37-14-13-25(18-37)24-9-11-29-28(17-24)32(35-21-34-29)36-27-10-12-30(22(3)15-27)40-20-23-7-6-8-26(33)16-23/h6-18,21H,4-5,19-20H2,1-3H3,(H,34,35,36)
InChIKeyULVOASQVUWGUMP-UHFFFAOYSA-N
MW537.64 g/mol
LogP6.74
Rot. Bonds10

About N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide

N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide (PubChem CID 143748772) has the molecular formula C32H32FN5O2 and a molecular weight of 537.64 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
PubChem CID143748772
Molecular FormulaC32H32FN5O2
Molecular Weight537.64 g/mol
Exact Mass537.25
IUPAC NameN,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C)c4)c3c2)c1
InChIInChI=1S/C32H32FN5O2/c1-4-38(5-2)31(39)19-37-14-13-25(18-37)24-9-11-29-28(17-24)32(35-21-34-29)36-27-10-12-30(22(3)15-27)40-20-23-7-6-8-26(33)16-23/h6-18,21H,4-5,19-20H2,1-3H3,(H,34,35,36)
InChIKeyULVOASQVUWGUMP-UHFFFAOYSA-N
XLogP6.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.64
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
CID 143805213
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(cyclopropylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 141179829
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(oxetan-2-ylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 143748620
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
CID 71072748
1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 143748447
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
N-[1-[3-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-2-hydroxypropyl]pyrrolidin-3-yl]acetamide
CID 143748807
1-[3-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide
CID 143748518
1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-3-(3,5-dimethylpiperazin-1-yl)propan-2-ol
CID 143748853
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(pyrrolidin-3-ylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 143748679
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
tert-butyl 3-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]phenyl]prop-2-enoate
CID 68905163

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide (CID 143748772) is N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide is CCN(CC)C(=O)Cn1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C)c4)c3c2)c1.
What is the InChIKey of N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide?
The InChIKey is ULVOASQVUWGUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O2/c1-4-38(5-2)31(39)19-37-14-13-25(18-37)24-9-11-29-28(17-24)32(35-21-34-29)36-27-10-12-30(22(3)15-27)40-20-23-7-6-8-26(33)16-23/h6-18,21H,4-5,19-20H2,1-3H3,(H,34,35,36).
What are the key properties of N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide?
N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide has a molecular weight of 537.64 g/mol, XLogP of 6.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 143748772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).