N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine

C19H17ClF2N4O2 — CID 68750156

IUPACN-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(F)cc(Cl)c3F)c2cc1O[C@H]1CCNC1
InChIInChI=1S/C19H17ClF2N4O2/c1-27-16-7-14-12(6-17(16)28-11-2-3-23-8-11)19(25-9-24-14)26-15-5-10(21)4-13(20)18(15)22/h4-7,9,11,23H,2-3,8H2,1H3,(H,24,25,26)/t11-/m0/s1
InChIKeyUDVAPGLUHONABH-NSHDSACASA-N
MW406.82 g/mol
LogP4.05
Rot. Bonds5

About N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine

N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine (PubChem CID 68750156) has the molecular formula C19H17ClF2N4O2 and a molecular weight of 406.82 g/mol. Its IUPAC name is N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
PubChem CID68750156
Molecular FormulaC19H17ClF2N4O2
Molecular Weight406.82 g/mol
Exact Mass406.10
IUPAC NameN-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(F)cc(Cl)c3F)c2cc1O[C@H]1CCNC1
InChIInChI=1S/C19H17ClF2N4O2/c1-27-16-7-14-12(6-17(16)28-11-2-3-23-8-11)19(25-9-24-14)26-15-5-10(21)4-13(20)18(15)22/h4-7,9,11,23H,2-3,8H2,1H3,(H,24,25,26)/t11-/m0/s1
InChIKeyUDVAPGLUHONABH-NSHDSACASA-N
XLogP4.05
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazolin-4-amine
CID 68519315
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
6-(4-aminocyclohexyl)oxy-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 25017541
6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]oxy]-N-(3-chloro-2,4-difluorophenyl)-7-methoxyquinazolin-4-amine
CID 174819906
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazine-1-carboxamide
CID 58294878
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 24999367
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-ethylpiperidine-1-carboxamide
CID 59557981

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine (CID 68750156) is N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine is COc1cc2ncnc(Nc3cc(F)cc(Cl)c3F)c2cc1O[C@H]1CCNC1.
What is the InChIKey of N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine?
The InChIKey is UDVAPGLUHONABH-NSHDSACASA-N. The full InChI is InChI=1S/C19H17ClF2N4O2/c1-27-16-7-14-12(6-17(16)28-11-2-3-23-8-11)19(25-9-24-14)26-15-5-10(21)4-13(20)18(15)22/h4-7,9,11,23H,2-3,8H2,1H3,(H,24,25,26)/t11-/m0/s1.
What are the key properties of N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine?
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine has a molecular weight of 406.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 68750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).