N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide

C25H32FN5O3 — CID 134305651

IUPACN-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
SMILESCCCC[C@H](CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)ccc12
InChIInChI=1S/C25H32FN5O3/c1-5-6-7-19(15-27-16(2)32)29-24-21-11-9-18(26)12-22(21)30-25(31-24)28-14-17-8-10-20(33-3)13-23(17)34-4/h8-13,19H,5-7,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,31)/t19-/m1/s1
InChIKeyDHCWOUZARLMLNV-LJQANCHMSA-N
MW469.56 g/mol
LogP4.51
Rot. Bonds12

About N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide

N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide (PubChem CID 134305651) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
PubChem CID134305651
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC NameN-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
SMILESCCCC[C@H](CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)ccc12
InChIInChI=1S/C25H32FN5O3/c1-5-6-7-19(15-27-16(2)32)29-24-21-11-9-18(26)12-22(21)30-25(31-24)28-14-17-8-10-20(33-3)13-23(17)34-4/h8-13,19H,5-7,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,31)/t19-/m1/s1
InChIKeyDHCWOUZARLMLNV-LJQANCHMSA-N
XLogP4.51
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide with MolForge

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Related Compounds

N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740
N-[(2R)-2-[(2-chloro-7-fluoroquinazolin-4-yl)amino]hexyl]acetamide
CID 134314811
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 122585039
(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 122585284
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide?
The IUPAC name of N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide (CID 134305651) is N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide?
The canonical SMILES for N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide is CCCC[C@H](CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)ccc12.
What is the InChIKey of N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide?
The InChIKey is DHCWOUZARLMLNV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-5-6-7-19(15-27-16(2)32)29-24-21-11-9-18(26)12-22(21)30-25(31-24)28-14-17-8-10-20(33-3)13-23(17)34-4/h8-13,19H,5-7,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,31)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide?
N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide has a molecular weight of 469.56 g/mol, XLogP of 4.51, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide is sourced from PubChem (CID 134305651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).