7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine

C21H19ClN6O — CID 155131200

IUPAC7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc4ccc(N)nc4c3)ccc12
InChIInChI=1S/C21H19ClN6O/c1-12-11-29-9-8-28(12)20-15-5-6-16(25-19(15)26-21(22)27-20)14-3-2-13-4-7-18(23)24-17(13)10-14/h2-7,10,12H,8-9,11H2,1H3,(H2,23,24)/t12-/m0/s1
InChIKeyDYUJMJVPMICTFX-LBPRGKRZSA-N
MW406.88 g/mol
LogP3.70
Rot. Bonds2

About 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine

7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine (PubChem CID 155131200) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine
PubChem CID155131200
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc4ccc(N)nc4c3)ccc12
InChIInChI=1S/C21H19ClN6O/c1-12-11-29-9-8-28(12)20-15-5-6-16(25-19(15)26-21(22)27-20)14-3-2-13-4-7-18(23)24-17(13)10-14/h2-7,10,12H,8-9,11H2,1H3,(H2,23,24)/t12-/m0/s1
InChIKeyDYUJMJVPMICTFX-LBPRGKRZSA-N
XLogP3.70
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine?
The IUPAC name of 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine (CID 155131200) is 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine.
What is the SMILES notation for 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine?
The canonical SMILES for 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine is C[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc4ccc(N)nc4c3)ccc12.
What is the InChIKey of 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine?
The InChIKey is DYUJMJVPMICTFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-12-11-29-9-8-28(12)20-15-5-6-16(25-19(15)26-21(22)27-20)14-3-2-13-4-7-18(23)24-17(13)10-14/h2-7,10,12H,8-9,11H2,1H3,(H2,23,24)/t12-/m0/s1.
What are the key properties of 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine?
7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine has a molecular weight of 406.88 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine is sourced from PubChem (CID 155131200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).