N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine

C26H24FN7O2 — CID 165120598

IUPACN-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine
SMILESCn1cc(-c2cc(OCC3COCCN3)c3c(Nc4ccc5ncccc5c4F)ncnc3c2)cn1
InChIInChI=1S/C26H24FN7O2/c1-34-12-17(11-32-34)16-9-22-24(23(10-16)36-14-18-13-35-8-7-28-18)26(31-15-30-22)33-21-5-4-20-19(25(21)27)3-2-6-29-20/h2-6,9-12,15,18,28H,7-8,13-14H2,1H3,(H,30,31,33)
InChIKeyCVJZRUOMTSFPOW-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.83
Rot. Bonds6

About N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine

N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine (PubChem CID 165120598) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine
PubChem CID165120598
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC NameN-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine
SMILESCn1cc(-c2cc(OCC3COCCN3)c3c(Nc4ccc5ncccc5c4F)ncnc3c2)cn1
InChIInChI=1S/C26H24FN7O2/c1-34-12-17(11-32-34)16-9-22-24(23(10-16)36-14-18-13-35-8-7-28-18)26(31-15-30-22)33-21-5-4-20-19(25(21)27)3-2-6-29-20/h2-6,9-12,15,18,28H,7-8,13-14H2,1H3,(H,30,31,33)
InChIKeyCVJZRUOMTSFPOW-UHFFFAOYSA-N
XLogP3.83
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
(R)-1-morpholino-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propan-1-one
CID 16036788
(R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116961
(S)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116962
(R)-N-methyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16116963
(R)-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propanamide
CID 16117085
5-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-ylethoxy]-N-[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]quinazolin-4-amine
CID 16117087
N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]acetamide
CID 16117089
5-(2-morpholin-4-yl-2-oxoethoxy)-N-[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]quinazolin-4-amine
CID 16117218
(R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N,N-dimethylpropanamide
CID 16117348
(S)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N,N-dimethylpropanamide
CID 16117483
(S)-1-morpholino-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)propan-1-one
CID 16118034

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine (CID 165120598) is N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine is Cn1cc(-c2cc(OCC3COCCN3)c3c(Nc4ccc5ncccc5c4F)ncnc3c2)cn1.
What is the InChIKey of N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine?
The InChIKey is CVJZRUOMTSFPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-34-12-17(11-32-34)16-9-22-24(23(10-16)36-14-18-13-35-8-7-28-18)26(31-15-30-22)33-21-5-4-20-19(25(21)27)3-2-6-29-20/h2-6,9-12,15,18,28H,7-8,13-14H2,1H3,(H,30,31,33).
What are the key properties of N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine?
N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine has a molecular weight of 485.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)-5-(morpholin-3-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 165120598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).